diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index cc4c1cc905c496160ff9d72b7140453565c31662..9fff73f49ea42e5105c64b6179babb130072b031 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -249,6 +249,26 @@ if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU")
   endif()
 endif()
 
+#######################################
+# add custom target for IWYU analysis
+#######################################
+set(ENABLE_IWYU OFF CACHE BOOL "Add 'iwyu' build target to call the include-what-you-use tool")
+mark_as_advanced(ENABLE_IWYU)
+if(ENABLE_IWYU)
+  find_program(IWYU_EXE NAMES include-what-you-use iwyu)
+  find_program(IWYU_TOOL NAMES iwyu_tool iwyu-tool iwyu_tool.py)
+  if (IWYU_EXE AND IWYU_TOOL)
+    add_custom_target(
+      iwyu
+      ${IWYU_TOOL} -o clang -p ${CMAKE_CURRENT_BINARY_DIR} -- -Xiwyu --mapping_file=${CMAKE_CURRENT_SOURCE_DIR}/iwyu/iwyu-extra-map.imp
+      COMMENT "Running IWYU")
+    add_dependencies(iwyu lammps)
+  else()
+    message(FATAL_ERROR "To use IWYU you need the include-what-you-use/iwyu executable"
+      "and the iwyu-tool/iwyu_tool script installed in your PATH")
+  endif()
+endif()
+
 set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, leak, thread, undefined)")
 mark_as_advanced(ENABLE_SANITIZER)
 set(ENABLE_SANITIZER_VALUES none address leak thread undefined)
@@ -293,7 +313,6 @@ if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE)
   endif()
 endif()
 
-
 find_package(JPEG QUIET)
 option(WITH_JPEG "Enable JPEG support" ${JPEG_FOUND})
 if(WITH_JPEG)
diff --git a/cmake/iwyu/iwyu-extra-map.imp b/cmake/iwyu/iwyu-extra-map.imp
new file mode 100644
index 0000000000000000000000000000000000000000..4fadea73fb3306bba6154eefd3d8aec0f86c7604
--- /dev/null
+++ b/cmake/iwyu/iwyu-extra-map.imp
@@ -0,0 +1,7 @@
+[
+  { include: [ "<bits/types/struct_rusage.h>", private, "<sys/resource.h>", public ] },
+  { include: [ "<bits/exception.h>", public, "<exception>", public ] },
+  { include: [ "@<Eigen/.*>", private, "<Eigen/Eigen>", public ] },
+  { include: [ "@<gtest/.*>", private, "\"gtest/gtest.h\"", public ] },
+  { include: [ "@<gmock/.*>", private, "\"gmock/gmock.h\"", public ] },
+]
diff --git a/doc/include-file-conventions.md b/doc/include-file-conventions.md
index e3448cb8ce05491c69a7e31c0a324cb3ba5b2d76..87b9eba8df44e9d130208a065d7eb131d03a0ed1 100644
--- a/doc/include-file-conventions.md
+++ b/doc/include-file-conventions.md
@@ -91,32 +91,31 @@ statements should follow the "include what you use" principle.
 
 Include files should be included in this order:
 * the header matching the implementation (`some_class.h` for file `some_class.cpp`)
-* mpi.h
-* system and library headers (anything that is using angular brackets; C-library headers first, then C++)
+* mpi.h  (only if needed)
 * LAMMPS local headers (preferably in alphabetical order)
+* system and library headers (anything that is using angular brackets; preferably in alphabetical order)
+* conditional include statements (i.e. anything bracketed with ifdefs)
 
 ### Special Cases and Exceptions
 
 #### pointers.h
 
-The `pointer.h` header file also includes `cstdio`, `cstddef`,
-`string`, `lmptype.h`, and `utils.h` (and through those indirectly
- `stdint.h`, `intttypes.h`, cstdlib, and `climits`).
+The `pointer.h` header file also includes (in this order) `lmptype.h`,
+`mpi.h`, `cstddef`, `cstdio`, `string`, `utils.h`, and `fmt/format.h`
+and through `lmptype.h` indirectly also `climits`, `cstdlib`, `cinttypes`.
 This means any header including `pointers.h` can assume that `FILE`,
-`NULL`, `INT_MAX` are defined, they may freely use std::string
-and functions from the utils namespace without including the
-corresponding header files.
+`NULL`, `INT_MAX` are defined, and the may freely use the std::string
+for arguments. Corresponding implementation files do not need to include
+those headers.
 
 ## Tools
 
 The [Include What You Use tool](https://include-what-you-use.org/)
 can be used to provide supporting information about compliance with
-the rules listed here.  There are some limitations and the IWYU tool
-may give incorrect advice.  The tools is activated by setting the
-CMake variable `CMAKE_CXX_INCLUDE_WHAT_YOU_USE` variable to the
-path of the `include-what-you-use` command.  When activated, the
-tool will be run after each compilation and provide suggestions for
-which include files should be added or removed.
+the rules listed here.  Through setting `-DENABLE_IWYU=on` when running
+CMake, a custom build target is added that will enable recording
+the compilation commands and then run the `iwyu_tool` using the
+recorded compilation commands information when typing `make iwyu`.
 
 ## Legacy Code
 
diff --git a/doc/src/Build_development.rst b/doc/src/Build_development.rst
index cd432dddcb86764386dc2ae018ebaa5e8ffd6f78..bed5f31a139786ff843820a2d831c52657d8add5 100644
--- a/doc/src/Build_development.rst
+++ b/doc/src/Build_development.rst
@@ -28,6 +28,40 @@ variable VERBOSE set to 1:
 
 ----------
 
+.. _iwyu_processing:
+
+Report missing and unneeded '#include' statements
+-------------------------------------------------
+
+The conventions for how and when to use and order include statements in
+LAMMPS are `documented in a separate file <https://github.com/lammps/lammps/blob/master/doc/include-file-conventions.md>`_
+(also included in the source code distribution).  To assist with following
+these conventions one can use the `Include What You Use tool <https://include-what-you-use.org/>`_.
+This is still under development and for large and complex projects like LAMMPS
+there are some false positives, so suggested changes need to be verified manually.
+It is recommended to use at least version 0.14, which has much fewer incorrect
+reports than earlier versions.
+
+The necessary steps to generate the report can be enabled via a
+CMake variable:
+
+.. code-block:: bash
+
+   -D ENABLE_IWYU=value    # value = no (default) or yes
+
+This will check if the required binary (include-what-you-use or iwyu)
+and python script script (iwyu-tool or iwyu_tool or iwyu_tool.py) can
+be found in the path.  The analysis can then be started with:
+
+.. code-block:: bash
+
+   make iwyu
+
+This may first run some compilation, as the analysis is dependent
+on recording all commands required to do the compilation.
+
+----------
+
 .. _sanitizer:
 
 Address, Undefined Behavior, and Thread Sanitizer Support
diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt
index a9f976c3fd56f0b9feb22bf394f1f327dd263177..586e14da880457d64ee09cdc7ac08a1ca538ceab 100644
--- a/doc/utils/sphinx-config/false_positives.txt
+++ b/doc/utils/sphinx-config/false_positives.txt
@@ -1355,6 +1355,7 @@ iva
 Ivanov
 Ivector
 Iw
+iwyu
 ixcm
 ixx
 Ixx
diff --git a/lib/awpmd/ivutils/include/logexc.h b/lib/awpmd/ivutils/include/logexc.h
index 80942f60bfa6a300b50f48cc7f1e1c50edb5521a..7bf6125bc6f5fab4e488748510cb9b440de144a0 100644
--- a/lib/awpmd/ivutils/include/logexc.h
+++ b/lib/awpmd/ivutils/include/logexc.h
@@ -273,7 +273,7 @@ public:
 };
 
 /// format a string 
-const char *fmt(const char *format,...);
+const char *logfmt(const char *format,...);
 
 /// macros with common usage
 #define LOGFATAL(code,text,lineinfo) ((lineinfo) ? ::message(vblFATAL,(code)," %s at %s:%d",(text),__FILE__,__LINE__) : \
diff --git a/lib/awpmd/ivutils/src/logexc.cpp b/lib/awpmd/ivutils/src/logexc.cpp
index d29745fda13efb7a9a632d2712310c951df9031f..7e82af0f659aec5be08f1f68ec61f402796899d6 100644
--- a/lib/awpmd/ivutils/src/logexc.cpp
+++ b/lib/awpmd/ivutils/src/logexc.cpp
@@ -16,7 +16,7 @@ message_logger &message_logger::global(){
 message_logger *message_logger::glogp=NULL;
 stdfile_logger default_log("",0,stdout,stderr,vblALLBAD|vblMESS1,vblFATAL,1);
 
-const char *fmt(const char *format,...){
+const char *logfmt(const char *format,...){
   va_list args;
   va_start(args,format);
   static char buff[1024];
diff --git a/lib/awpmd/systems/interact/TCP/wpmd.cpp b/lib/awpmd/systems/interact/TCP/wpmd.cpp
index 1e53f3141c747d7a64ad7a9f88784b68b278747c..660d7c21d72ad405eb69dfc8dae81eeb6c16e42a 100644
--- a/lib/awpmd/systems/interact/TCP/wpmd.cpp
+++ b/lib/awpmd/systems/interact/TCP/wpmd.cpp
@@ -170,7 +170,7 @@ int AWPMD::set_pbc(const Vector_3P pcell, int pbc_){
 int AWPMD::set_electrons(int s, int n, Vector_3P x, Vector_3P v, double* w, double* pw, double mass, double *q)
 {
   if(s < 0 || s > 1)
-    return LOGERR(-1,fmt("AWPMD.set_electrons: invaid s setting (%d)!",s),LINFO);
+    return LOGERR(-1,logfmt("AWPMD.set_electrons: invaid s setting (%d)!",s),LINFO);
 
   norm_matrix_state[s] = NORM_UNDEFINED;
   nwp[s]=ne[s]=n;
@@ -363,20 +363,20 @@ int AWPMD::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
     //3. inverting the overlap matrix
     int info=0;
     if(nes){
-      /*FILE *f1=fopen(fmt("matrO_%d.d",s),"wt");
+      /*FILE *f1=fopen(logfmt("matrO_%d.d",s),"wt");
       fileout(f1,Y[s],"%15g");
       fclose(f1);8*/
-      
+
       ZPPTRF("L",&nes,Y[s].arr,&info);
       // analyze return code here
       if(info<0)
-        return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO); 
+        return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO); 
       ZPPTRI("L",&nes,Y[s].arr,&info);
       if(info<0)
-        return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO); 
+        return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO); 
 
-      
-      /*f1=fopen(fmt("matrY_%d.d",s),"wt");
+
+      /*f1=fopen(logfmt("matrY_%d.d",s),"wt");
       fileout(f1,Y[s],"%15g");
       fclose(f1);*/
     }
@@ -758,7 +758,7 @@ void AWPMD::norm_factorize(int s) {
   int nes8 = ne[s]*8, info;
   DGETRF(&nes8, &nes8, Norm[s].arr, &nes8, &ipiv[0], &info);
   if(info < 0)
-    LOGERR(info,fmt("AWPMD.norm_factorize: call to DGETRF failed (exitcode %d)!",info),LINFO); 
+    LOGERR(info,logfmt("AWPMD.norm_factorize: call to DGETRF failed (exitcode %d)!",info),LINFO); 
 
   norm_matrix_state[s] = NORM_FACTORIZED;
 }
@@ -773,7 +773,7 @@ void AWPMD::norm_invert(int s) {
 
   DGETRI(&nes8, Norm[s].arr, &nes8, &ipiv[0], (double*)IDD.arr, &IDD_size, &info); // use IDD for work storage
   if(info < 0)
-    LOGERR(info,fmt("AWPMD.norm_invert: call to DGETRI failed (exitcode %d)!",info),LINFO); 
+    LOGERR(info,logfmt("AWPMD.norm_invert: call to DGETRI failed (exitcode %d)!",info),LINFO); 
 
   norm_matrix_state[s] = NORM_INVERTED;
 }
@@ -829,7 +829,7 @@ int AWPMD::step(double dt){
 //e gets current electronic coordinates
 int AWPMD::get_electrons(int spin, Vector_3P x, Vector_3P v, double* w, double* pw, double mass){
   if(spin<0 || spin >1)
-    return -1; // invalid spin: return LOGERR(-1,fmt("AWPMD.get_electrons: invaid spin setting (%d)!",spin),LINFO);
+    return -1; // invalid spin: return LOGERR(-1,logfmt("AWPMD.get_electrons: invaid spin setting (%d)!",spin),LINFO);
   if(mass<0)
     mass=me;
   for(int i=0;i<ni;i++){
@@ -887,4 +887,4 @@ int AWPMD::interaction_ii(int flag,Vector_3P fi){
     }
   }
   return 1;
-}
\ No newline at end of file
+}
diff --git a/lib/awpmd/systems/interact/TCP/wpmd_split.cpp b/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
index 732707d717eeff61566cb16ec799817058dd1fc5..2c58bdaf28555710a8e0ad1e43d56251d4df65d8 100644
--- a/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
+++ b/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
@@ -10,7 +10,7 @@ void AWPMD_split::resize(int flag){
       ovl_der[s].resize(nvar[s]);
       E_der[s].resize(nvar[s]);
 
-      if(flag&(0x8|0x4) || norm_needed){ //electron forces or norm matrix needed 
+      if(flag&(0x8|0x4) || norm_needed){ //electron forces or norm matrix needed
         if(approx==HARTREE){ // L and Norm are needed in block form
           Lh[s].resize(nvar[s]);
           if(norm_needed){
@@ -24,7 +24,7 @@ void AWPMD_split::resize(int flag){
         }
       }
     }
-  }  
+  }
   AWPMD::resize(flag);
 }
 
@@ -43,18 +43,18 @@ int AWPMD_split::add_split(Vector_3 &x, Vector_3 &v, double &w, double &pw, Vect
   wp[s_add].push_back(create_wp(x,v,w,pw,mass));
   split_c[s_add].push_back(c);
   qe[s_add].push_back(q);
-  
+
   if(tag==0)
     tag=spl_add;
   partition1[s_add].push_back(tag);
-  
+
   return spl_add-1;
 }
 
 int AWPMD_split::set_electrons(int s, int nel, Vector_3P x, Vector_3P v, double* w, double* pw, Vector_2 *c, int *splits, double mass, double *q)
 {
   if(s < 0 || s > 1)
-    return LOGERR(-1,fmt("AWPMD_split.set_electrons: invaid spin setting (%d)!",s),LINFO);
+    return LOGERR(-1,logfmt("AWPMD_split.set_electrons: invaid spin setting (%d)!",s),LINFO);
 
   // calculating the total n
   nvar[s]=0;
@@ -68,22 +68,22 @@ int AWPMD_split::set_electrons(int s, int nel, Vector_3P x, Vector_3P v, double*
   norm_matrix_state[s] = NORM_UNDEFINED;
   ne[s]=nel;
   wp[s].resize(n);
-  
+
   split_c[s].resize(n);
   split_c[s].assign(c,c+n);
-  
-  
+
+
   nspl[s].resize(nel);
   nspl[s].assign(splits,splits+nel);
 
   partition1[s].clear();
   for(int i=0;i<n;i++){
-    
+
     /*if(constraint==FIX){
       w[i]=w0;
       pw[i]=0.;
     }
-    
+
     double rw;
     if(Lextra>0){ // width PBC, keeping the width are within [0,Lextra]
       w[i]=fmod(w[i],Lextra);
@@ -107,7 +107,7 @@ int AWPMD_split::set_electrons(int s, int nel, Vector_3P x, Vector_3P v, double*
   else
     qe[s].assign(nwp[s],-1);
 
-  
+
 
   return 1;
 }
@@ -121,40 +121,40 @@ void AWPMD_split::eterm_deriv(int ic1,int s1,int c1, int j1,int ic2,int s2, int
   cdouble ck(split_c[s2][ic2+k2][0],split_c[s2][ic2+k2][1]);
   int indw1=8*ic1, indw2=8*ic2;
   int indn1=(nvar[s1]/10)*8+2*ic1, indn2=(nvar[s2]/10)*8+2*ic2;
-  cdouble part_jk=conj(cj)*ck; 
+  cdouble part_jk=conj(cj)*ck;
 
   int M= 1; //(j1==k2 ? 1 : 2);
 
   // over a_k_re
-  E_der[s2][indw2+8*k2]+=   M*real(pref*part_jk*(o.da2_re()*v+o.I0*dv_ak));           
+  E_der[s2][indw2+8*k2]+=   M*real(pref*part_jk*(o.da2_re()*v+o.I0*dv_ak));
   // over a_k_im
-  E_der[s2][indw2+8*k2+1]+=   M*real(pref*part_jk*(o.da2_im()*v+i_unit*o.I0*dv_ak));    
+  E_der[s2][indw2+8*k2+1]+=   M*real(pref*part_jk*(o.da2_im()*v+i_unit*o.I0*dv_ak));
   // over a_j_re
-  E_der[s1][indw1+8*j1]+=   M*real(pref*part_jk*(o.da1_re()*v+o.I0*dv_aj_conj));           
+  E_der[s1][indw1+8*j1]+=   M*real(pref*part_jk*(o.da1_re()*v+o.I0*dv_aj_conj));
   // over a_j_im
-  E_der[s1][indw1+8*j1+1]+= M*real(pref*part_jk*(o.da1_im()*v-i_unit*o.I0*dv_aj_conj));           
+  E_der[s1][indw1+8*j1+1]+= M*real(pref*part_jk*(o.da1_im()*v-i_unit*o.I0*dv_aj_conj));
 
   for(int i=0;i<3;i++){
     // over b_k_re
-    E_der[s2][indw2+8*k2+2+2*i]+= M*real(pref*part_jk*(o.db2_re(i)*v+o.I0*dv_bk[i]));           
+    E_der[s2][indw2+8*k2+2+2*i]+= M*real(pref*part_jk*(o.db2_re(i)*v+o.I0*dv_bk[i]));
     // over b_k_im
-    E_der[s2][indw2+8*k2+2+2*i+1]+= M*real(pref*part_jk*(o.db2_im(i)*v+i_unit*o.I0*dv_bk[i]));      
+    E_der[s2][indw2+8*k2+2+2*i+1]+= M*real(pref*part_jk*(o.db2_im(i)*v+i_unit*o.I0*dv_bk[i]));
     // over b_j_re
-    E_der[s1][indw1+8*j1+2+2*i]+= M*real(pref*part_jk*(o.db1_re(i)*v+o.I0*dv_bj_conj[i]));                      
+    E_der[s1][indw1+8*j1+2+2*i]+= M*real(pref*part_jk*(o.db1_re(i)*v+o.I0*dv_bj_conj[i]));
     // over b_j_im
-    E_der[s1][indw1+8*j1+2+2*i+1]+= M*real(pref*part_jk*(o.db1_im(i)*v-i_unit*o.I0*dv_bj_conj[i]));             
+    E_der[s1][indw1+8*j1+2+2*i+1]+= M*real(pref*part_jk*(o.db1_im(i)*v-i_unit*o.I0*dv_bj_conj[i]));
   }
 
 
   // over ck_re
-  E_der[s2][indn2+2*k2]+=M*real(pref*conj(cj)*o.I0*v);  
+  E_der[s2][indn2+2*k2]+=M*real(pref*conj(cj)*o.I0*v);
   // over ck_im
   E_der[s2][indn2+2*k2+1]+=M*real(pref*i_unit*conj(cj)*o.I0*v);
   // over cj_re
-  E_der[s1][indn1+2*j1]+=M*real(pref*ck*o.I0*v);  
+  E_der[s1][indn1+2*j1]+=M*real(pref*ck*o.I0*v);
   // over cj_im
-  E_der[s1][indn1+2*j1+1]+=M*real(-pref*i_unit*ck*o.I0*v);  
-  
+  E_der[s1][indn1+2*j1+1]+=M*real(-pref*i_unit*ck*o.I0*v);
+
   double t= -M*real(pref*part_jk*o.I0*v);
   // nonlocal terms: TODO: make a separate global loop for summation of nonlocal terms
   for(int j=0;j<nspl[s1][c1];j++){
@@ -186,11 +186,11 @@ void AWPMD_split::calc_norms(int flag){
   // calculating block norms and derivatives
   for(int s1=0;s1<2;s1++){
     int ic1=0; // starting index of the wp for current electron
-    int indw1=0; // starting index of the electron wp coordinates 
-    int indn1=(nvar[s1]/10)*8; // starting index of the electron norm coordinates 
-    
+    int indw1=0; // starting index of the electron wp coordinates
+    int indn1=(nvar[s1]/10)*8; // starting index of the electron norm coordinates
+
     for(int c1=0;c1<ne[s1];c1++){
-      
+
       // calculating the block norm
       wf_norm[s1][c1]=0.;
       for(int j1=0;j1<nspl[s1][c1];j1++){
@@ -206,27 +206,27 @@ void AWPMD_split::calc_norms(int flag){
           wf_norm_der[s1][indn1+2*j1+1]+=2*cj_im; // over cj_im
           o.set1(wj);// conjugate: mu -> -mu, v -> -v !!!
         }
-        
-       
+
+
         for(int k1=j1+1;k1<nspl[s1][c1];k1++){
           double ck_re=split_c[s1][ic1+k1][0];
           double ck_im=split_c[s1][ic1+k1][1];
           cdouble ck=cdouble(ck_re,ck_im);
 
           WavePacket wk=wp[s1][ic1+k1];
-          if(pbc) 
+          if(pbc)
             move_to_image(wj,wk);
           WavePacket wjk=conj(wj)*wk;
           cdouble I0=wjk.integral();
-          
+
           cdouble part_jk=ccj*ck;
           wf_norm[s1][c1]+=2*real(part_jk*I0);
 
-          
+
           if(flag&(0x8|0x4)){ //electron forces needed
             o.set2(wk,&I0);
-            
-            
+
+
             wf_norm_der[s1][indw1+8*k1]+=   2*real(part_jk*o.da2_re());           // over a_k_re
             wf_norm_der[s1][indw1+8*k1+1]+=   2*real(part_jk*o.da2_im());    // over a_k_im
 
@@ -240,13 +240,13 @@ void AWPMD_split::calc_norms(int flag){
               wf_norm_der[s1][indw1+8*j1+2+2*i]+= 2*real(part_jk*o.db1_re(i));           // over b_j_re
               wf_norm_der[s1][indw1+8*j1+2+2*i+1]+= 2*real(part_jk*o.db1_im(i));  // over b_j_im
             }
-     
+
             wf_norm_der[s1][indn1+2*j1]+=2*real(ck*I0);  // over cj_re
             wf_norm_der[s1][indn1+2*j1+1]+=2*real(-i_unit*ck*I0);  // over cj_im
             wf_norm_der[s1][indn1+2*k1]+=2*real(ccj*I0); // over ck_re
             wf_norm_der[s1][indn1+2*k1+1]+=2*real(i_unit*ccj*I0); // over ck_im
 
-            
+
             // overlap derivatives (for norm matrix)
             ovl_der[s1][indw1+8*k1]+=   ccj*o.da2_re();           // over a_k_re
             ovl_der[s1][indw1+8*k1+1]+=   ccj*o.da2_im();    // over a_k_im
@@ -261,7 +261,7 @@ void AWPMD_split::calc_norms(int flag){
               ovl_der[s1][indw1+8*j1+2+2*i]+= ck*o.db1_re(i);           // over b_j_re
               ovl_der[s1][indw1+8*j1+2+2*i+1]+= ck*o.db1_im(i);  // over b_j_im
             }
-     
+
             ovl_der[s1][indn1+2*j1]+=ck*I0;  // over cj_re
             ovl_der[s1][indn1+2*j1+1]+=-i_unit*ck*I0;  // over cj_im
             ovl_der[s1][indn1+2*k1]+=ccj*I0; // over ck_re
@@ -269,24 +269,24 @@ void AWPMD_split::calc_norms(int flag){
           }
         } // k1
       }// j1
-      // normalizing the norm derivative 
+      // normalizing the norm derivative
       for(int j1=0;j1<nspl[s1][c1];j1++){
         for(int i=0;i<8;i++) // wp parameters
           wf_norm_der[s1][indw1+8*j1+i]/=2*wf_norm[s1][c1];
         // c
-        wf_norm_der[s1][indn1+2*j1]/=2*wf_norm[s1][c1];  
+        wf_norm_der[s1][indn1+2*j1]/=2*wf_norm[s1][c1];
         wf_norm_der[s1][indn1+2*j1+1]/=2*wf_norm[s1][c1];
       }
-      //wf_norm[s1][c1]=1; 
+      //wf_norm[s1][c1]=1;
       //wf_norm[s1][c1]=sqrt(wf_norm[s1][c1]);
       ic1+=nspl[s1][c1];
       indw1+=8*nspl[s1][c1]; // 8 variables in each wavepacket
       indn1+=2*nspl[s1][c1]; // 2 variables in each wp norm
-    }// c1   
+    }// c1
   }// s1
 }
 
-void AWPMD_split::clear_forces(int flag,Vector_3P fi, Vector_3P fe_x, 
+void AWPMD_split::clear_forces(int flag,Vector_3P fi, Vector_3P fe_x,
                                Vector_3P fe_p, double *fe_w, double *fe_pw, Vector_2P fe_c){
   if(flag&0x1){
     for(int i=0;i<ni;i++)
@@ -309,11 +309,11 @@ void AWPMD_split::clear_forces(int flag,Vector_3P fi, Vector_3P fe_x,
   }
 }
 
-void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x, 
+void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
                                Vector_3P fe_p, double *fe_w, double *fe_pw, Vector_2P fe_c){
   if(flag&0x4) //need to replace the forces
     clear_forces(0x4,NULL,fe_x,fe_p,fe_w,fe_pw,fe_c);
-  
+
   // recalculating derivatives
   if(flag&(0x8|0x4)){ //electron forces needed
     int iv1=0;
@@ -323,7 +323,7 @@ void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
         int indw1=8*ic1;
         int indn1=(nvar[s1]/10)*8+2*ic1;
         for(int k1=0;k1<nspl[s1][c1];k1++){
-          WavePacket wk=wp[s1][ic1+k1];  
+          WavePacket wk=wp[s1][ic1+k1];
           /*double w=wk.get_width();
           Vector_3 r=wk.get_r();
           double t=3/(2*w*w*w);
@@ -332,7 +332,7 @@ void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
           for(int i=0;i<3;i++){
             fe_x[ic1+k1][i]+= -2*real(wk.a)*E_der[s1][indw1+8*k1+2+2*i]-2*imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1];
             fe_p[ic1+k1][i]+= (-E_der[s1][indw1+8*k1+2+2*i+1])*(m_electron/h_plank); // *(h_plank/m_electron);
-            fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank;  
+            fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank;
             fe_w[ic1+k1]+=2*r[i]*(t*E_der[s1][indw1+8*k1+2+2*i]+imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]/w);
           }*/
           wk.int2phys_der< minus >(E_der[s1].begin()+indw1,(double *)&fe_x[iv1+k1],(double *)&fe_p[iv1+k1],&fe_w[iv1+k1],&fe_pw[iv1+k1], 1./one_h);
@@ -341,14 +341,14 @@ void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
         ic1+=nspl[s1][c1]; // incrementing block1 wp address
         iv1+=nspl[s1][c1]; // incrementing global variable address
       }
-    }  
+    }
   }
 }
 
 //e same as interaction, but using Hartee factorization (no antisymmetrization)
-int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x, 
+int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
                                       Vector_3P fe_p, double *fe_w, double *fe_pw, Vector_2P fe_c){
-  
+
   // resize arrays if needed
   enum APPROX tmp=HARTREE;
   swap(tmp,approx); // do not need large matrices
@@ -358,39 +358,39 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
   // clearing forces
   clear_forces(flag,fi,fe_x,fe_p,fe_w,fe_pw,fe_c);
   // calculate block norms and (optionally) derivatives
-  calc_norms(flag);  
+  calc_norms(flag);
 
   Eee = Ew = 0.;
   for(int s1=0;s1<2;s1++){
     Ee[s1]=0.;
     Eei[s1]=0.;
     int ic1=0; // starting index of the wp for current electron
-    
+
     for(int c1=0;c1<ne[s1];c1++){
       // calculating single-electron quantities within block
       double pref=-h2_me/(2*wf_norm[s1][c1]); // ekin
       double pref_ei=coul_pref/wf_norm[s1][c1];
-      
+
       for(int j1=0;j1<nspl[s1][c1];j1++){
         cdouble cj(split_c[s1][ic1+j1][0],split_c[s1][ic1+j1][1]);
-        WavePacket wj=wp[s1][ic1+j1];  
+        WavePacket wj=wp[s1][ic1+j1];
 
         OverlapDeriv o;
         if(flag&(0x8|0x4)) //electron forces needed
           o.set1(wj);
-          
+
         for(int k1=j1;k1<nspl[s1][c1];k1++){
           int M1a=(j1==k1 ? 1: 2);
           double M1e, M1f;
           _mytie(M1e,M1f)=check_part1(s1,ic1+j1,ic1+k1)*M1a;
-          
+
           cdouble ck(split_c[s1][ic1+k1][0],split_c[s1][ic1+k1][1]);
-          
+
           // electrons kinetic energy
           WavePacket wk=wp[s1][ic1+k1];
           if(pbc)
             move_to_image(wj,wk);
-          
+
           WavePacket wjk=conj(wj)*wk;
           cdouble I0 = wjk.integral();
           cdouble part_jk=conj(cj)*ck;
@@ -400,12 +400,12 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
             cdouble v=(v1*v1)/wjk.a;
             v-=6.*wk.a*conj(wj.a);
             v/=wjk.a;
-            
-            //v=1.; 
-           
+
+            //v=1.;
+
             // kinetic energy contribution
             Ee[s1] += M1e*real(part_jk*I0*v)*pref;  // Ejk+Ekj=Ejk+conj(Ejk), j!=k or Ejj
-            
+
 
 
             if(flag&(0x8|0x4)){ //electron forces needed
@@ -421,9 +421,9 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
               cdouble dv_ak=0.;
               cVector_3 dv_bj_conj;
               cVector_3 dv_bk;*/
-            
-                 
-            
+
+
+
               o.set2(wk,&I0);
               // calculate full derivative of the term pref*conj(cj)*ck*Ijk*vjk/sqrt(nrm(s1)*nrm(s2))
               // denominator must be included in pref
@@ -434,18 +434,18 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
           cVector_3 djk=wjk.b/(2.*wjk.a);
           // e-i energy
           //cdouble sum(0.,0.);
-          for(int i=0;i<ni;i++){  // ions loop 
+          for(int i=0;i<ni;i++){  // ions loop
             double M1ie, M1if;
             _mytie(M1ie,M1if)=check_part1ei(s1,ic1+j1,ic1+k1,i)*M1a;
             if(!M1ie)
               continue;
 
             cVector_3 gjki=djk - cVector_3(xi[i]);
-            
+
             if(pbc) // correcting the real part (distance) according to PBC
               gjki=rcell1(gjki,cell,pbc);
               //-Igor- gkli=cVector_3(real(gkli).rcell1(cell,pbc),imag(gkli));
-            
+
             cdouble ngjki=gjki.norm();
             cdouble sqajk=sqrt(wjk.a);
             //cdouble ttt = cerf_div(ngjki,c);
@@ -465,13 +465,13 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
               t2=t1/(2*sqajk);
               t1*=sqajk;
             }
-            
+
             if(flag&0x3 && !zero_force){// calculate forces on ions
               cdouble dEw=pref_eiq*I0*t1*part_jk;
               dEw=(dE-dEw)/ngjki;
               Vector_3 dir=-real(gjki);
               dir.normalize();
-              fi[i]+=M1if*real( dEw)*dir;          
+              fi[i]+=M1if*real( dEw)*dir;
             }
             if(flag&(0x8|0x4)){ //electron forces needed
               cdouble dv_ak= (zero_force ?  0.: (djk*gjki)*(v-t1)/(wjk.a*ngjki*ngjki)) +t2;
@@ -479,9 +479,9 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
               eterm_deriv(ic1,s1,c1,j1,ic1,s1,c1,k1,M1if*pref_eiq,o,v,dv_ak,dv_ak,dv_bk,dv_bk);
             }
           }
-        
+
           // extra constraint energy
-          if(j1==k1 && constraint == HARM && M1e){ 
+          if(j1==k1 && constraint == HARM && M1e){
             cdouble v=conj(wj.a)*wj.a;
             Ew += harm_w0_4 * real(part_jk*v)/wf_norm[s1][c1];
             if(flag&(0x8|0x4)){ //electron forces needed
@@ -495,17 +495,17 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
           // e-e interaction
           for(int s2=s1;s2<2;s2++){
             int ic2=0; // starting index of the wp for current electron
-        
+
             for(int c2=0 ;c2<ne[s2];ic2+=nspl[s2][c2],c2++){ // incrementing block2 wp address
               if(s1==s2 && c2<=c1)
                 continue;
 
               double pref_ee=coul_pref/(wf_norm[s1][c1]*wf_norm[s2][c2]);
               for(int j2=0;j2<nspl[s2][c2];j2++){
-                
+
                 cdouble cj2(split_c[s2][ic2+j2][0],split_c[s2][ic2+j2][1]);
                 WavePacket& wj2=wp[s2][ic2+j2];
-                
+
                 OverlapDeriv o2;
                 if(flag&(0x8|0x4)) //electron forces needed
                   o2.set1(wj2);
@@ -524,7 +524,7 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
 
 
                   cdouble part_jk2=conj(cj2)*ck2;
-                  
+
                   cVector_3 djk2=wjk2.b/(2*wjk2.a);
                   cVector_3 ddv=djk-djk2;
                   cdouble dd=ddv.norm();
@@ -536,7 +536,7 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
                   cdouble Vj1j2k1k2=pref_eeq*I0*I02*v*part_jk*part_jk2;
                   Eee+=M1e*M2e*real(Vj1j2k1k2);
                   //Eee+=(j1==k1 || j2==k2 ? 1: 2)*real(Vj1j2k1k2);
-                  
+
 
                   cdouble t1, t2;
                   bool zero_force=(fabs(real(dd))+fabs(imag(dd))<1e-10);
@@ -544,21 +544,21 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
                     cdouble arg=dd*aa;
                     t1=two_over_sqr_pi*exp(-arg*arg)*aa;
                     t2=t1*aa*aa/2;
-                  
-                    
+
+
                     cdouble dv_ak1= (zero_force ?  0.: (djk*ddv)*(v-t1)/(wjk.a*dd*dd)) +t2/(wjk.a*wjk.a);
                     cVector_3 dv_bk1= zero_force ? cVector_3() :  -ddv*(v-t1)/(2*wjk.a*dd*dd);
                     eterm_deriv(ic1,s1,c1,j1,ic1,s1,c1,k1,M1f*M2f*pref_eeq*I02*part_jk2,o,v,dv_ak1,dv_ak1,dv_bk1,dv_bk1);
-                    
+
                     o2.set2(wk2,&I02);
                     cdouble dv_ak2= (zero_force ?  0.: (-djk2*ddv)*(v-t1)/(wjk2.a*dd*dd)) +t2/(wjk2.a*wjk2.a);
                     cVector_3 dv_bk2= zero_force ? cVector_3() :  ddv*(v-t1)/(2*wjk2.a*dd*dd);
                     eterm_deriv(ic2,s2,c2,j2,ic2,s2,c2,k2,M1f*M2f*pref_eeq*I0*part_jk,o2,v,dv_ak2,dv_ak2,dv_bk2,dv_bk2);
                   }
-             
+
                 }// k2
               } // j2
-              
+
             } //c2
           }// s2
 # endif
@@ -566,7 +566,7 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
       }// j1
       ic1+=nspl[s1][c1]; // incrementing block1 wp address
     }// c1
-  } // s1       
+  } // s1
 
   // transforming the forces to physical coordinates
   if(flag&(0x8|0x4) && !(flag&0x10))
@@ -574,7 +574,7 @@ int  AWPMD_split::interaction_hartree(int flag, Vector_3P fi, Vector_3P fe_x,
 
   if(calc_ii)
     interaction_ii(flag,fi);
-  
+
   return 1;
 }
 
@@ -587,14 +587,14 @@ cdouble  AWPMD_split::overlap(int ic1, int s1, int c1,int ic2, int s2, int c2){
     double cj_re=split_c[s1][ic1+j1][0];
     double cj_im=split_c[s1][ic1+j1][1];
     cdouble ccj=cdouble(cj_re,-cj_im);
-    WavePacket wj=wp[s1][ic1+j1]; 
+    WavePacket wj=wp[s1][ic1+j1];
     for(int k2=0;k2<nspl[s2][c2];k2++){
       double ck_re=split_c[s2][ic2+k2][0];
       double ck_im=split_c[s2][ic2+k2][1];
       cdouble ck=cdouble(ck_re,ck_im);
 
       WavePacket wk=wp[s2][ic2+k2];
-      if(pbc) 
+      if(pbc)
         move_to_image(wj,wk);
       WavePacket wjk=conj(wj)*wk;
       sum+=ccj*ck*wjk.integral();
@@ -615,7 +615,7 @@ void AWPMD_split::y_deriv(cdouble v,int s,int c2, int c1){
   }
 }
 
-///\en Calculates interaction in the system of ni ions + electrons 
+///\en Calculates interaction in the system of ni ions + electrons
 /// the electonic subsystem must be previously setup by set_electrons, ionic by set_ions
 /// 0x1   -- give back ion forces \n
 /// 0x2   -- add ion forces to the existing set \n
@@ -626,7 +626,7 @@ void AWPMD_split::y_deriv(cdouble v,int s,int c2, int c1){
 ///          the forces may be obtained then using \ref get_el_forces() for all WPs \n
 ///          or separately for each WP using \ref get_wp_force()
 /// if PBCs are used the coords must be within a range [0, cell)
-int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x, 
+int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                              Vector_3P fe_p, double *fe_w, double *fe_pw, Vector_2P fe_c){
   //if(approx==HARTREE)
     //return interaction_hartree(flag,fi,fe_x,fe_p,fe_w,fe_pw,fe_c);
@@ -636,7 +636,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
   //1. clearing forces
   clear_forces(flag,fi,fe_x,fe_p,fe_w,fe_pw,fe_c);
   // calculate block norms and (optionally) derivatives
-  calc_norms(flag);  
+  calc_norms(flag);
 
   //2. calculating overlap matrix
   for(int s=0;s<2;s++){
@@ -645,7 +645,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
 
     int ik=0;
     for(int k=0;k<nes;k++){
-      
+
       Y[s].set(k,k,1.);  // Diagonal elements (=1)
       Oflg[s](k,k) = 1;
       int il=0;
@@ -663,20 +663,20 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
     //3. inverting the overlap matrix
     int info=0;
     if(nes && approx!=HARTREE){
-      /*FILE *f1=fopen(fmt("matrO_%d.d",s),"wt");
+      /*FILE *f1=fopen(logfmt("matrO_%d.d",s),"wt");
       fileout(f1,Y[s],"%15g");
       fclose(f1);8*/
-      
+
       ZPPTRF("L",&nes,Y[s].arr,&info);
       // analyze return code here
       if(info<0)
-        return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO); 
+        return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRF failed (exitcode %d)!",info),LINFO);
       ZPPTRI("L",&nes,Y[s].arr,&info);
       if(info<0)
-        return LOGERR(info,fmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO); 
+        return LOGERR(info,logfmt("AWPMD.interacton: call to ZPTRI failed (exitcode %d)!",info),LINFO);
+
 
-      
-      /*f1=fopen(fmt("matrY_%d.d",s),"wt");
+      /*f1=fopen(logfmt("matrY_%d.d",s),"wt");
       fileout(f1,Y[s],"%15g");
       fclose(f1);*/
     }
@@ -710,28 +710,28 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
             L[s1](c1,10*(ic1+j)+i)=0.;
         }*/
 
-        int ic2=0;     
+        int ic2=0;
         for(int c2=0;c2<ne[s1];ic2+=nspl[s1][c2],c2++){
           if(approx==HARTREE && c1!=c2) // only diagonals for Hartree
             continue;
           if(c2<c1) // taken assymmetry into account
             continue;
-          if( !Oflg[s1](c1,c2) ) 
+          if( !Oflg[s1](c1,c2) )
             continue; // non-overlapping WPs
 
-          
+
           if(approx==HARTREE && norm_needed) // initializing the matrices with zero
             Normh[s1][c1].Set(0);
-          
-          
+
+
           double sq_norm12=sqrt(wf_norm[s1][c1]*wf_norm[s1][c2]);
-          double pref=1./(sq_norm12); 
-          
-         
+          double pref=1./(sq_norm12);
+
+
           // WP blocks:
           for(int j1=0;j1<nspl[s1][c1];j1++){
             cdouble cj1(split_c[s1][ic1+j1][0],split_c[s1][ic1+j1][1]);
-            WavePacket wj1=wp[s1][ic1+j1];  
+            WavePacket wj1=wp[s1][ic1+j1];
 
             OverlapDeriv o12;
             o12.set1(wj1);
@@ -745,46 +745,46 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
               WavePacket wk2=wp[s1][ic2+k2];
               if(pbc)
                 move_to_image(wj1,wk2);
-              
+
               WavePacket wjk12=conj(wj1)*wk2;
               cdouble I012 = wjk12.integral();
-              cdouble part_jk12=conj(cj1)*ck2;     
-              
+              cdouble part_jk12=conj(cj1)*ck2;
+
               o12.set2(wk2,&I012);
 
 
               cdouble der_k[10], der_j[10];
               // over a_k_re
-              der_k[0]=   part_jk12*o12.da2_re();           
+              der_k[0]=   part_jk12*o12.da2_re();
               // over a_k_im
-              der_k[1]=   part_jk12*o12.da2_im();    
+              der_k[1]=   part_jk12*o12.da2_im();
               // over a_j_re
-              der_j[0]=   part_jk12*o12.da1_re();           
+              der_j[0]=   part_jk12*o12.da1_re();
               // over a_j_im
-              der_j[1]=   part_jk12*o12.da1_im();           
+              der_j[1]=   part_jk12*o12.da1_im();
 
               for(int i=0;i<3;i++){
                 // over b_k_re
-                der_k[2+2*i]=   part_jk12*o12.db2_re(i);           
+                der_k[2+2*i]=   part_jk12*o12.db2_re(i);
                 // over b_k_im
-                der_k[2+2*i+1]= part_jk12*o12.db2_im(i);      
+                der_k[2+2*i+1]= part_jk12*o12.db2_im(i);
                 // over b_j_re
-                der_j[2+2*i]=   part_jk12*o12.db1_re(i);                      
+                der_j[2+2*i]=   part_jk12*o12.db1_re(i);
                 // over b_j_im
-                der_j[2+2*i+1]= part_jk12*o12.db1_im(i);             
+                der_j[2+2*i+1]= part_jk12*o12.db1_im(i);
               }
 
               // over ck_re
-              der_k[8]=conj(cj1)*I012;  
+              der_k[8]=conj(cj1)*I012;
               // over ck_im
               der_k[9]=i_unit*conj(cj1)*I012;
               // over cj_re
-              der_j[8]=ck2*I012;  
+              der_j[8]=ck2*I012;
               // over cj_im
-              der_j[9]=-i_unit*ck2*I012;  
+              der_j[9]=-i_unit*ck2*I012;
 
               if(j1==0){ // add all together instead of adding by parts
-                cdouble t=-O[s1](c1,c2)/pref;   //-part_jk12*I012; 
+                cdouble t=-O[s1](c1,c2)/pref;   //-part_jk12*I012;
                 for(int i=0;i<8;i++){
                   der_j[i]+=t*wf_norm_der[s1][8*(ic1+j1)+i];
                   der_k[i]+=t*wf_norm_der[s1][8*(ic2+k2)+i];
@@ -794,7 +794,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 der_k[8]+=t*wf_norm_der[s1][indn+2*(c2+k2)];
                 der_k[9]+=t*wf_norm_der[s1][indn+2*(c2+k2)+1];
               }
-            
+
               if(approx!=HARTREE){
                 for(int i=0;i<10;i++){
                   L[s1](c1,10*(ic2+k2)+i)+=M12*pref*der_k[i];
@@ -820,12 +820,12 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 if(approx!=HARTREE){
                   for(int i=0;i<10;i++)  // 10x10
                     for(int j=0;j<10;j++)
-                      Norm[s1](10*(ic1+j1)+i,10*(ic2+k2)+j)=-2*imag(o12.IDD((int)i,(int)j))/one_h;              
+                      Norm[s1](10*(ic1+j1)+i,10*(ic2+k2)+j)=-2*imag(o12.IDD((int)i,(int)j))/one_h;
                 }
                 else{
                   for(int i=0;i<10;i++)  // 10x10
                     for(int j=0;j<10;j++)
-                      Normh[s1][c1](10*j1+i,10*k2+j)=-2*imag(o12.IDD((int)i,(int)j))/one_h;              
+                      Normh[s1][c1](10*j1+i,10*k2+j)=-2*imag(o12.IDD((int)i,(int)j))/one_h;
                 }
               }
             } // k2
@@ -837,7 +837,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
         if(approx!=HARTREE){
           int ic1=0;
           for(int c1=0;c1<ne[s1];c1++){
-            int ic2=0;     
+            int ic2=0;
             for(int c2=0;c2<ne[s1];ic2+=nspl[s1][c2],c2++){
               if(c2<c1)
                 continue;
@@ -870,8 +870,8 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
             ic1+=nspl[s1][c1]; // incrementing block1 wp address
           }
         }
-      } // norm 
-    } // s1    
+      } // norm
+    } // s1
   } // flag
 # endif
   Vector_3 ndr;
@@ -881,17 +881,17 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
     Ee[s1]=Eei[s1]=0.;
     int ic1=0;
     for(int c1=0;c1<ne[s1];c1++){
-      
+
       //double Ee1=0., Ew1=0., Eei1=0.;
-      
+
       int ic2=0;
       for(int c2=0;c2<ne[s1];ic2+=nspl[s1][c2],c2++){
-        if( !Oflg[s1](c1,c2) ) 
+        if( !Oflg[s1](c1,c2) )
             continue; // non-overlapping WPs
 
         if(c2<c1) // taken as M factor into account
           continue;
-       
+
         double sq_norm12=sqrt(wf_norm[s1][c1]*wf_norm[s1][c2]);
         double pref=-h2_me/(2*sq_norm12); // ekin
         double pref_ei=coul_pref/sq_norm12;
@@ -899,7 +899,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
         cdouble yy;
         if(approx==HARTREE)
           yy=1.;
-        else 
+        else
           yy=Y[s1](c2,c1);
         cdouble Tc1c2=0.;
 
@@ -907,7 +907,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
           // WP blocks:
           for(int j1=0;j1<nspl[s1][c1];j1++){
             cdouble cj1(split_c[s1][ic1+j1][0],split_c[s1][ic1+j1][1]);
-            WavePacket wj1=wp[s1][ic1+j1];  
+            WavePacket wj1=wp[s1][ic1+j1];
 
             OverlapDeriv o12;
             if(flag&(0x8|0x4)) //electron forces needed
@@ -917,20 +917,20 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
               int M12=(c1==c2 && j1==k2 ? 1: 2);
               double M12pe, M12pf;
               _mytie(M12pe,M12pf)=check_part1(s1,ic1+j1,ic2+k2)*M12;
-              
-                  
+
+
 
               cdouble ck2(split_c[s1][ic2+k2][0],split_c[s1][ic2+k2][1]);
-            
+
 
               // electrons kinetic energy
               WavePacket wk2=wp[s1][ic2+k2];
               if(pbc)
                 move_to_image(wj1,wk2);
-              
+
               WavePacket wjk12=conj(wj1)*wk2;
               cdouble I012 = wjk12.integral();
-              cdouble part_jk12=conj(cj1)*ck2;           
+              cdouble part_jk12=conj(cj1)*ck2;
               cVector_3 djk12=wjk12.b/(2.*wjk12.a);
 
               // kinetic energy contribution
@@ -939,9 +939,9 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 cdouble v=(v1*v1)/wjk12.a;
                 v-=6.*wk2.a*conj(wj1.a);
                 v/=wjk12.a;
-                //v=1.; 
-         
-                double dE=M12pe*real(part_jk12*I012*v*yy)*pref;  
+                //v=1.;
+
+                double dE=M12pe*real(part_jk12*I012*v*yy)*pref;
                 //double dE=real(yy);
                 //Tc1c2+=1.;
                 Ee[s1] += dE;
@@ -951,7 +951,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 // diagonal term
                 if(M12==1)
                   Edk+=dE;
-         
+
                 if(flag&(0x8|0x4)){ //electron forces needed
                   cVector_3 tv=wk2.b*conj(wj1.a)-conj(wj1.b)*wk2.a;
                   cdouble ajk2=wjk12.a*wjk12.a;
@@ -961,7 +961,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                   cVector_3 dv_bj_conj=-2*tv*wk2.a/ajk2;
                   cVector_3 dv_bk=2*tv*conj(wj1.a)/ajk2;
 
-                  
+
                   o12.set2(wk2,&I012);
                   // calculate full derivative of the term pref*conj(cj)*ck*Ijk*vjk/sqrt(nrm(s1)*nrm(s2))
                   // denominator must be included in pref
@@ -972,17 +972,17 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
               } // M12pe
               // e-i energy
               cdouble sum=0.;
-              for(int i=0;i<ni;i++){  // ions loop 
+              for(int i=0;i<ni;i++){  // ions loop
                 double M12pie, M12pif;
                 _mytie(M12pie,M12pif)=check_part1ei(s1,ic1+j1,ic2+k2,i)*M12;
                 if(!M12pif)
                   continue;
                 cVector_3 gjki=djk12 - cVector_3(xi[i]);
-                
+
                 if(pbc) // correcting the real part (distance) according to PBC
                   gjki=rcell1(gjki,cell,pbc);
                   //-Igor- gkli=cVector_3(real(gkli).rcell1(cell,pbc),imag(gkli));
-                
+
                 cdouble ngjki=gjki.norm();
                 cdouble sqajk=sqrt(wjk12.a);
                 //cdouble ttt = cerf_div(ngjki,c);
@@ -1004,13 +1004,13 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                   t2=t1/(2*sqajk);
                   t1*=sqajk;
                 }
-                
+
                 if(flag&0x3 && !zero_force){// calculate forces on ions
                   cdouble dEw=(pref_eiq*yy)*I012*t1*part_jk12;
                   dEw=(dE-dEw)/ngjki;
                   Vector_3 dir=-real(gjki);
                   dir.normalize();
-                  fi[i]+=M12pif*real( dEw)*dir;          
+                  fi[i]+=M12pif*real( dEw)*dir;
                 }
                 if(flag&(0x8|0x4)){ //electron forces needed
                   cdouble dv_ak= (zero_force ?  0.: (djk12*gjki)*(v-t1)/(wjk12.a*ngjki*ngjki)) +t2;
@@ -1029,13 +1029,13 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 Tc1c2+=sum;
 
               // extra constraint energy, will only arrive here when M12p=1
-              if((c1==c2 && j1==k2) && constraint == HARM){ 
+              if((c1==c2 && j1==k2) && constraint == HARM){
                 cdouble v=conj(wj1.a)*wk2.a;
                 double dE= M12pe * harm_w0_4 * real(part_jk12*v)/wf_norm[s1][c1];
                 Ew += dE;
 
                 Ewp[s1][ic1+j1]+= dE; //per particle energy
-                
+
 
                 if(flag&(0x8|0x4)){ //electron forces needed
                   cdouble dv_ak=     conj(wj1.a);
@@ -1050,7 +1050,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
             y_deriv(Tc1c2,s1,c2,c1);
           }
         } // !HARTREE or spins or overlap
-      
+
 
 
 # if 1 // pair by pair sum
@@ -1061,15 +1061,15 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                continue;
           if(/*s1==s2 &&*/ c2<c1) // pair selection term
              continue;
-                  
+
           int ic3=0; // starting index of the wp for current electron
           for(int c3=0 ;c3<ne[s2];ic3+=nspl[s2][c3],c3++){ // incrementing block2 wp address
             if(approx==HARTREE && s1==s2 && c3==c1) // [Vkkmn contribution for same spin is 0], also  no Vkkkk terms for Hartree (=)
               continue;
             if(s1==s2 && c3<=c1) // and general Coulomb sum: i<j (<) //??
               continue;
-            
-            int ic4=0;   
+
+            int ic4=0;
             for(int c4=0; c4<ne[s2];ic4+=nspl[s2][c4],c4++){
               if(approx==HARTREE && c4!=c3) // only Vkmkm terms for Hartree
                 continue;
@@ -1082,8 +1082,8 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
 
               double sq_norm34=sqrt(wf_norm[s2][c3]*wf_norm[s2][c4]);
               double pref_ee=coul_pref/(sq_norm12*sq_norm34);
-                  
-                
+
+
               cdouble yy;
               double K=1.;
               if(approx==HARTREE){
@@ -1096,19 +1096,19 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                 else{ // different spin atisymmetrized term
                   //if(approx==UHF)
                     //K=2.;
-                  yy=K*Y[s2](c4,c3)*Y[s1](c2,c1);                 
+                  yy=K*Y[s2](c4,c3)*Y[s1](c2,c1);
                 }
                 //yy=1.;
                 //yy=Y[s1](c2,c1)*Y[s1](c4,c3);
                 //yy=Y[s1](c2,c3)*Y[s1](c4,c1);
                 //yy=Y[s1](c2,c1)*Y[s1](c4,c3)-Y[s1](c2,c3)*Y[s1](c4,c1);
               }
-          
+
               cdouble Vy=0.;
               // WP blocks: Vc1c3c2c4
               for(int j1=0;j1<nspl[s1][c1];j1++){
                 cdouble cj1(split_c[s1][ic1+j1][0],split_c[s1][ic1+j1][1]);
-                WavePacket wj1=wp[s1][ic1+j1];  
+                WavePacket wj1=wp[s1][ic1+j1];
 
                 OverlapDeriv o12,o14;
                 if(flag&(0x8|0x4)){ //electron forces needed
@@ -1118,36 +1118,36 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
 
                 for(int k2=(approx==HARTREE ? j1: 0); k2<nspl[s1][c2];k2++){
                   int M12=(c1==c2 && j1==k2 ? 1: 2);
-                  
-                 
+
+
                   cdouble ck2(split_c[s1][ic2+k2][0],split_c[s1][ic2+k2][1]);
-                
+
 
                   WavePacket wk2=wp[s1][ic2+k2];
                   if(pbc)
                     move_to_image(wj1,wk2);
-                  
+
                   WavePacket wjk12=conj(wj1)*wk2;
                   cdouble I012 = wjk12.integral();
-                  cdouble part_jk12=conj(cj1)*ck2;           
+                  cdouble part_jk12=conj(cj1)*ck2;
                   cVector_3 djk12=wjk12.b/(2.*wjk12.a);
 
                   if(flag&(0x8|0x4)) //electron forces needed
                     o12.set2(wk2,&I012);
 
-                  
+
                   for(int j3=0;j3<nspl[s2][c3];j3++){
-                    
+
                     cdouble cj3(split_c[s2][ic3+j3][0],split_c[s2][ic3+j3][1]);
                     WavePacket& wj3=wp[s2][ic3+j3];
-                    
+
                     OverlapDeriv o34, o32;
                     if(flag&(0x8|0x4)){ //electron forces needed
                       o34.set1(wj3);
                       o32.set1(wj3);
                       //o32.set2(wk2);
                     }
-                      
+
                     // 3-2
                     WavePacket wjk32;
                     cdouble I032=0., part_jk32;
@@ -1163,12 +1163,12 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                       if(flag&(0x8|0x4)) //electron forces needed
                         o32.set2(wk2,&I032);
                     }
-                    
+
 
                     for(int k4=(approx==HARTREE ? j3: 0);k4<nspl[s2][c4];k4++){
                       int M34=(c3==c4 && j3==k4 ? 1: 2);
-                       
-                      
+
+
 
                       double M0;
                       if(approx==HARTREE)
@@ -1192,7 +1192,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                       cdouble I034 = wjk34.integral();
                       cdouble part_jk34=conj(cj3)*ck4;
                       cVector_3 djk34=wjk34.b/(2*wjk34.a);
-                      
+
                       cVector_3 ddv=djk12-djk34;
                       cdouble dd=ddv.norm();
                       cdouble aa=1./sqrt(1./wjk12.a+1./wjk34.a);
@@ -1201,7 +1201,7 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                       cdouble Vj1j3k2k4=pref_eeq*I012*I034*v*part_jk12*part_jk34;  // Vklmn
                       double dE=Me*real(Vj1j3k2k4*yy);
                       Eee+=dE;
-                      
+
                       Eeep[s1][ic1+j1]+=0.25*dE; // per-particle energy
                       Eeep[s1][ic2+k2]+=0.25*dE;
                       Eeep[s2][ic3+j3]+=0.25*dE;
@@ -1216,12 +1216,12 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                         cdouble arg=dd*aa;
                         cdouble t1=two_over_sqr_pi*exp(-arg*arg)*aa;
                         cdouble t2=t1*aa*aa/2;
-                      
-                        
+
+
                         cdouble dv_ak1= (zero_force ?  0.: (djk12*ddv)*(v-t1)/(wjk12.a*dd*dd)) +t2/(wjk12.a*wjk12.a);
                         cVector_3 dv_bk1= zero_force ? cVector_3() :  -ddv*(v-t1)/(2*wjk12.a*dd*dd);
                         eterm_deriv(ic1,s1,c1,j1,ic2,s1,c2,k2,Mf*pref_eeq*I034*part_jk34*yy,o12,v,dv_ak1,dv_ak1,dv_bk1,dv_bk1);
-                        
+
                         o34.set2(wk4,&I034);
                         cdouble dv_ak2= (zero_force ?  0.: (-djk34*ddv)*(v-t1)/(wjk34.a*dd*dd)) +t2/(wjk34.a*wjk34.a);
                         cVector_3 dv_bk2= zero_force ? cVector_3() :  ddv*(v-t1)/(2*wjk34.a*dd*dd);
@@ -1240,18 +1240,18 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                         cdouble I014 = wjk14.integral();
                         cdouble part_jk14=conj(cj1)*ck4;
                         cVector_3 djk14=wjk14.b/(2*wjk14.a);
-                        
+
                         cVector_3 ddv=djk32-djk14;
                         cdouble dd=ddv.norm();
                         cdouble aa=1./sqrt(1./wjk32.a+1./wjk14.a);
                         cdouble v=cerf_div(dd,aa);
 
-                        
+
                         double pref_eeq=pref_ee*(qe[s1][ic1+j1]+qe[s2][ic4+k4])*(qe[s2][ic3+j3]+qe[s1][ic2+k2])*0.25;
                         cdouble Vj1j3k4k2=pref_eeq*I032*I014*v*part_jk32*part_jk14;  // Vklmn
                         double dE=-Me*real(Vj1j3k4k2*yy);
                         Eee+=dE;
-                        
+
                         Eeep[s1][ic1+j1]+=0.25*dE; // per-particle energy
                         Eeep[s1][ic2+k2]+=0.25*dE;
                         Eeep[s2][ic3+j3]+=0.25*dE;
@@ -1263,13 +1263,13 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                           cdouble arg=dd*aa;
                           cdouble t1=two_over_sqr_pi*exp(-arg*arg)*aa;
                           cdouble t2=t1*aa*aa/2;
-                        
+
                           o14.set2(wk4,&I014);
                           cdouble dv_ak1= (zero_force ?  0.: (-djk14*ddv)*(v-t1)/(wjk14.a*dd*dd)) +t2/(wjk14.a*wjk14.a);
                           cVector_3 dv_bk1= zero_force ? cVector_3() :  ddv*(v-t1)/(2*wjk14.a*dd*dd);
                           eterm_deriv(ic1,s1,c1,j1,ic4,s2,c4,k4,-Mf*pref_eeq*I032*part_jk32*yy,o14,v,dv_ak1,dv_ak1,dv_bk1,dv_bk1);
-                          
-                          
+
+
                           cdouble dv_ak2= (zero_force ?  0.: (djk32*ddv)*(v-t1)/(wjk32.a*dd*dd)) +t2/(wjk32.a*wjk32.a);
                           cVector_3 dv_bk2= zero_force ? cVector_3() :  -ddv*(v-t1)/(2*wjk32.a*dd*dd);
                           eterm_deriv(ic3,s2,c3,j3,ic2,s1,c2,k2,-Mf*pref_eeq*I014*part_jk14*yy,o32,v,dv_ak2,dv_ak2,dv_bk2,dv_bk2);
@@ -1280,19 +1280,19 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
 # endif
                     }// k4
                   }// j3
-                } // k2  
+                } // k2
               } // j1
 
               // derivative of yy term
               if(approx!=HARTREE && flag&(0x8|0x4)){ //electron forces needed
-                //yy=Y[s1](c2,c1)*Y[s1](c4,c3)-Y[s1](c2,c3)*Y[s1](c4,c1); 
+                //yy=Y[s1](c2,c1)*Y[s1](c4,c3)-Y[s1](c2,c3)*Y[s1](c4,c1);
 # if 1
                 if(s1==s2){
                   // yy
                   y_deriv(Vy*Y[s1](c4,c3),s1,c2,c1);
                   y_deriv(Vy*Y[s1](c2,c1),s1,c4,c3);
                   y_deriv(-Vy*Y[s1](c4,c1),s1,c2,c3);
-                  y_deriv(-Vy*Y[s1](c2,c3),s1,c4,c1);                  
+                  y_deriv(-Vy*Y[s1](c2,c3),s1,c4,c1);
                 }
                 else{
                   y_deriv(K*Vy*Y[s2](c4,c3),s1,c2,c1);
@@ -1303,18 +1303,18 @@ int AWPMD_split::interaction(int flag, Vector_3P fi, Vector_3P fe_x,
                // y_deriv(Vy*Y[s1](c2,c3),s1,c4,c1);
               }
             } // c4
-          } // c3 
+          } // c3
         } // s2
 # endif
       }// c2
       ic1+=nspl[s1][c1]; // incrementing block1 wp address
     }// c1
-  } // s1       
-  
+  } // s1
+
   // transforming the forces to physical coordinates
   if(flag&(0x8|0x4) && !(flag&0x10))
     get_el_forces((flag&(~0x4))|0x8,fe_x,fe_p,fe_w,fe_pw,fe_c); // flag change: electronic forces were cleared already
-  
+
   if(calc_ii)
     interaction_ii(flag,fi);
 
diff --git a/lib/awpmd/systems/interact/TCP/wpmd_split.h b/lib/awpmd/systems/interact/TCP/wpmd_split.h
index 23a3636a6b79ec0758457bf6841dceaacb5644ad..44fb757576e2424d2ce5c8d603067456b9837ed4 100644
--- a/lib/awpmd/systems/interact/TCP/wpmd_split.h
+++ b/lib/awpmd/systems/interact/TCP/wpmd_split.h
@@ -119,11 +119,11 @@ public:
   ///    Electronic charges q are -1 by default (when q=NULL), otherwise the charges are assigned for each split
   int set_electrons(int s, int nel, Vector_3P x, Vector_3P v, double* w, double* pw, Vector_2 *c, int *splits, double mass=-1, double *q=NULL);
 
-  
+
   ///\en Starts adding new electron: continue with \ref add_split functions.
   int add_electron(int s){
     if(s < 0 || s > 1)
-      return LOGERR(-1,fmt("AWPMD_split.add_electron: invaid spin setting (%d)!",s),LINFO);
+      return LOGERR(-1,logfmt("AWPMD_split.add_electron: invaid spin setting (%d)!",s),LINFO);
     s_add=s;
     spl_add=0;
     return ne[s_add];
diff --git a/src/ASPHERE/compute_erotate_asphere.cpp b/src/ASPHERE/compute_erotate_asphere.cpp
index 3cf23b87eb70dcaf2c1678af126c5548452d87bb..945b91fbbd8fcf5b4641977177d35cb293c3d0f8 100644
--- a/src/ASPHERE/compute_erotate_asphere.cpp
+++ b/src/ASPHERE/compute_erotate_asphere.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_erotate_asphere.h"
-#include <mpi.h>
+
 #include "math_extra.h"
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
diff --git a/src/ASPHERE/compute_temp_asphere.cpp b/src/ASPHERE/compute_temp_asphere.cpp
index 4350678bbda235c4546254c5603e5b09a005c736..889563f617205bd5f80f916c947486f2c4a85430 100644
--- a/src/ASPHERE/compute_temp_asphere.cpp
+++ b/src/ASPHERE/compute_temp_asphere.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_asphere.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/ASPHERE/fix_nph_asphere.cpp b/src/ASPHERE/fix_nph_asphere.cpp
index 0501ea1e8ad4e5c5ad173f31798cfa74453438b4..6d1727ce45947fa517cb22eb741b4b84be910f29 100644
--- a/src/ASPHERE/fix_nph_asphere.cpp
+++ b/src/ASPHERE/fix_nph_asphere.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_nph_asphere.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/ASPHERE/fix_npt_asphere.cpp b/src/ASPHERE/fix_npt_asphere.cpp
index f7f253f40b65591c9dca867dfc8a70d1b74912eb..064a20d55b2e82e87e692644bbb8c7890d90155a 100644
--- a/src/ASPHERE/fix_npt_asphere.cpp
+++ b/src/ASPHERE/fix_npt_asphere.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_npt_asphere.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/ASPHERE/fix_nvt_asphere.cpp b/src/ASPHERE/fix_nvt_asphere.cpp
index e0275d4acf9a0c900e4c69c76823b2c0b1205372..d439d947bff1cba20f3f776ae5eaffd27211b52d 100644
--- a/src/ASPHERE/fix_nvt_asphere.cpp
+++ b/src/ASPHERE/fix_nvt_asphere.cpp
@@ -13,11 +13,11 @@
 
 #include "fix_nvt_asphere.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp
index 064e365dc163824f188d9913302857cd06debf02..89350dd00f3858df6ff4fb28cefc8a614bd15829 100644
--- a/src/ASPHERE/pair_gayberne.cpp
+++ b/src/ASPHERE/pair_gayberne.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gayberne.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "math_extra.h"
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp
index a1c64775428600a999d233813a03d450d754d617..6397e77f5bf4c564015baedb2e424e0e0cd22782 100644
--- a/src/ASPHERE/pair_line_lj.cpp
+++ b/src/ASPHERE/pair_line_lj.cpp
@@ -20,7 +20,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp
index a25addaba4297b15b2ee17adf85179a04a152ca0..81fb4d4b6ca1324556f89bcf767ff6c0b8910844 100644
--- a/src/ASPHERE/pair_resquared.cpp
+++ b/src/ASPHERE/pair_resquared.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_resquared.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "math_extra.h"
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp
index 0f840dadf36a550f52babfbe0b2bb2fd916bd3c0..cf89cf9d33ed57a0648e00c490fbe7e961792fd0 100644
--- a/src/ASPHERE/pair_tri_lj.cpp
+++ b/src/ASPHERE/pair_tri_lj.cpp
@@ -21,7 +21,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/body_nparticle.cpp b/src/BODY/body_nparticle.cpp
index a99c025e1f370168b597868dbed22cc5982f2b91..e63d50f81473339aa6728c46fae0677693d24184 100644
--- a/src/BODY/body_nparticle.cpp
+++ b/src/BODY/body_nparticle.cpp
@@ -12,16 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "body_nparticle.h"
-#include <cstring>
-#include <cstdlib>
-#include "my_pool_chunk.h"
-#include "math_extra.h"
-#include "atom_vec_body.h"
+
 #include "atom.h"
-#include "force.h"
-#include "memory.h"
+#include "atom_vec_body.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "math_extra.h"
+#include "memory.h"
+#include "my_pool_chunk.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/body_rounded_polygon.cpp b/src/BODY/body_rounded_polygon.cpp
index 349ad957c2eb76ffab55b5f4bbb40e407edc0459..c43484dca227d84904426c994ba855943938d94e 100644
--- a/src/BODY/body_rounded_polygon.cpp
+++ b/src/BODY/body_rounded_polygon.cpp
@@ -16,17 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "body_rounded_polygon.h"
-#include <cmath>
-#include <cstring>
-#include "my_pool_chunk.h"
-#include "atom_vec_body.h"
+
 #include "atom.h"
-#include "force.h"
+#include "atom_vec_body.h"
 #include "domain.h"
+#include "error.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "my_pool_chunk.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/body_rounded_polyhedron.cpp b/src/BODY/body_rounded_polyhedron.cpp
index cb84517b6f6c473fe3b23cf1d53d78eb77d66cff..18fd65c1dd281f9fb32ae495d3a59560069f0712 100644
--- a/src/BODY/body_rounded_polyhedron.cpp
+++ b/src/BODY/body_rounded_polyhedron.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "body_rounded_polyhedron.h"
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include "my_pool_chunk.h"
-#include "atom_vec_body.h"
+
 #include "atom.h"
-#include "force.h"
+#include "atom_vec_body.h"
+#include "error.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "my_pool_chunk.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/compute_body_local.cpp b/src/BODY/compute_body_local.cpp
index 915407db9249e9863999f56c2e5f26c5d1a24b43..cf570d71a3d686ada151eef32f69a17c6d9b03e8 100644
--- a/src/BODY/compute_body_local.cpp
+++ b/src/BODY/compute_body_local.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_body_local.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec_body.h"
 #include "body.h"
-#include "update.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/compute_temp_body.cpp b/src/BODY/compute_temp_body.cpp
index 4cf9ac5009a766ece966207a9e3701b3b4130b4c..18c301678a606e0f895672906fa4aea415e3141f 100644
--- a/src/BODY/compute_temp_body.cpp
+++ b/src/BODY/compute_temp_body.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_body.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/BODY/fix_nph_body.cpp b/src/BODY/fix_nph_body.cpp
index 1e8cc88e7c0bd62b710d39afa1c3f0e036693b86..f198919ad8455762d5423e4428acdbaf1e6cf6c4 100644
--- a/src/BODY/fix_nph_body.cpp
+++ b/src/BODY/fix_nph_body.cpp
@@ -17,11 +17,11 @@
 
 #include "fix_nph_body.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/BODY/fix_npt_body.cpp b/src/BODY/fix_npt_body.cpp
index 295777753f14a869dc3cba6139399b7354964d82..23194bc8caddf8d218c55ece70916ffe55ced0c0 100644
--- a/src/BODY/fix_npt_body.cpp
+++ b/src/BODY/fix_npt_body.cpp
@@ -17,11 +17,11 @@
 
 #include "fix_npt_body.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/BODY/fix_nvt_body.cpp b/src/BODY/fix_nvt_body.cpp
index 458ff1ab14c050c634ffd60881509bde57208a82..3cab4416b0440f0281ce209c115cee97657abf1b 100644
--- a/src/BODY/fix_nvt_body.cpp
+++ b/src/BODY/fix_nvt_body.cpp
@@ -17,11 +17,11 @@
 
 #include "fix_nvt_body.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/BODY/pair_body_nparticle.cpp b/src/BODY/pair_body_nparticle.cpp
index b3333d4715043f2242b28743925a3e034a0083be..ece23d9522b17bf4b12dbdcb9123198359525506 100644
--- a/src/BODY/pair_body_nparticle.cpp
+++ b/src/BODY/pair_body_nparticle.cpp
@@ -23,7 +23,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/pair_body_rounded_polygon.cpp b/src/BODY/pair_body_rounded_polygon.cpp
index 9687c28613e8ccce0120710ba4ed4bfcde1bb7f0..fa5a8e57dab4556c91b0fda6f5540a5441a3f518 100644
--- a/src/BODY/pair_body_rounded_polygon.cpp
+++ b/src/BODY/pair_body_rounded_polygon.cpp
@@ -19,7 +19,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_body_rounded_polygon.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_extra.h"
@@ -34,7 +34,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/BODY/pair_body_rounded_polyhedron.cpp b/src/BODY/pair_body_rounded_polyhedron.cpp
index dfefc318afe948ccc17bb9f0f6337ef39acd2569..d376ac759eba9a1c3b680d7e4f40e5266a799247 100644
--- a/src/BODY/pair_body_rounded_polyhedron.cpp
+++ b/src/BODY/pair_body_rounded_polyhedron.cpp
@@ -21,7 +21,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_body_rounded_polyhedron.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -37,7 +37,7 @@
 #include "error.h"
 #include "math_extra.h"
 #include "math_const.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/angle_class2.cpp b/src/CLASS2/angle_class2.cpp
index 431479b489fc0ea1481dd0591fbbaff005efde76..eea43480e194779d08573bc99ae68874a7387601 100644
--- a/src/CLASS2/angle_class2.cpp
+++ b/src/CLASS2/angle_class2.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_class2.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/bond_class2.cpp b/src/CLASS2/bond_class2.cpp
index 2cd63eafcb8a3b119ba03c75736eb8a603fa82b9..a97b06a3c770ff71f3e242c3e9e45aff9cc8e4bc 100644
--- a/src/CLASS2/bond_class2.cpp
+++ b/src/CLASS2/bond_class2.cpp
@@ -17,7 +17,7 @@
 
 #include <cstring>
 #include "bond_class2.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -25,7 +25,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/CLASS2/dihedral_class2.cpp b/src/CLASS2/dihedral_class2.cpp
index 44d4902e4a2584cd4495a4306ee32b8c984831af..5be522f2c9936eccfc248000044c546240dde379 100644
--- a/src/CLASS2/dihedral_class2.cpp
+++ b/src/CLASS2/dihedral_class2.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_class2.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,8 +27,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp
index 662459abb7a57662a343ee8ac8d3cac8a01562d7..0b07a7d60c4ebaec10101f425e0bdc8bdf8bc2b9 100644
--- a/src/CLASS2/improper_class2.cpp
+++ b/src/CLASS2/improper_class2.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_class2.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,8 +27,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp
index 96b035f83b1f583a9b276c2632ce22559eead7aa..bb1dfe0ab30c79ecdb5f0b2f0fe956a056f46ea3 100644
--- a/src/CLASS2/pair_lj_class2.cpp
+++ b/src/CLASS2/pair_lj_class2.cpp
@@ -10,7 +10,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -24,7 +24,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp
index 9aca9f048a57c0b7611156f7f5c78b72d3957056..8375043ed8e9dbaa01273b4d1d55d0048d0b7518 100644
--- a/src/CLASS2/pair_lj_class2_coul_cut.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2_coul_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -23,7 +23,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp
index 5c7c107d023ff207271438824f487d3ee140bc07..3b9ef8deaf092a411e5316984a06e106f35004bc 100644
--- a/src/CLASS2/pair_lj_class2_coul_long.cpp
+++ b/src/CLASS2/pair_lj_class2_coul_long.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/COLLOID/fix_wall_colloid.cpp b/src/COLLOID/fix_wall_colloid.cpp
index 58593a99b18baef1c414ce3d8822d3c2409df629..ef5bfb72e16f9a23d260628f443b570182620bf3 100644
--- a/src/COLLOID/fix_wall_colloid.cpp
+++ b/src/COLLOID/fix_wall_colloid.cpp
@@ -16,10 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_colloid.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
-#include "atom_vec.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp
index d7b2dba14a0db0ae79a2c0aaa349e0eb73982c67..786be66c70569ce7d7118e16f21a3feaff540fcf 100644
--- a/src/COLLOID/pair_brownian.cpp
+++ b/src/COLLOID/pair_brownian.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_brownian.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -36,7 +36,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/COLLOID/pair_brownian_poly.cpp b/src/COLLOID/pair_brownian_poly.cpp
index c3eb4f28a5afb21543005085f6e256580e5cecff..9c2593ffb1af8a6020805cb6ceb687fcdb602067 100644
--- a/src/COLLOID/pair_brownian_poly.cpp
+++ b/src/COLLOID/pair_brownian_poly.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_brownian_poly.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp
index 7552d123c33b19a5d8f8c56dbf17c3b98e590624..f95645c6131d46076436f141993c035145298916 100644
--- a/src/COLLOID/pair_colloid.cpp
+++ b/src/COLLOID/pair_colloid.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_colloid.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp
index 4f2a4455a3c7a6bbefee3c263ab71eaeed395950..867bb9197979b60557c7a83adc2ba7f23873e1f0 100644
--- a/src/COLLOID/pair_lubricate.cpp
+++ b/src/COLLOID/pair_lubricate.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lubricate.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -35,7 +35,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp
index 4fb16116609b32dcd691d0f54d4b72cbc9782a0b..2df1ecaaa62c7f6c3c818712c7b2f3002c1694ae 100644
--- a/src/COLLOID/pair_lubricateU.cpp
+++ b/src/COLLOID/pair_lubricateU.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lubricateU.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -34,7 +34,7 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/COLLOID/pair_lubricateU_poly.cpp b/src/COLLOID/pair_lubricateU_poly.cpp
index 7fd847671ea067331c20f07643df06f51b8e51b4..8483bb0f51161c047dd95c75dc5486f6df83a5d1 100644
--- a/src/COLLOID/pair_lubricateU_poly.cpp
+++ b/src/COLLOID/pair_lubricateU_poly.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lubricateU_poly.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/COLLOID/pair_lubricate_poly.cpp b/src/COLLOID/pair_lubricate_poly.cpp
index e347441cf4a8a226c46f7b44342ac3e6e7e15db6..351757e09b82e9f21ecb823c1a54acff12939fbb 100644
--- a/src/COLLOID/pair_lubricate_poly.cpp
+++ b/src/COLLOID/pair_lubricate_poly.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lubricate_poly.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/COMPRESS/dump_atom_gz.cpp b/src/COMPRESS/dump_atom_gz.cpp
index 6c78ba7910bdcdd77aa3c8d67c28fdc4e29abaad..484175762e7d9c0888103a53e797814b0513c314 100644
--- a/src/COMPRESS/dump_atom_gz.cpp
+++ b/src/COMPRESS/dump_atom_gz.cpp
@@ -15,10 +15,10 @@
 #include "domain.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_atom_zstd.cpp b/src/COMPRESS/dump_atom_zstd.cpp
index a8da9a1a2c7d52ca874f141a78434260e0c55dfc..8fb08db3c8508ddc4eed35a5b4d09cfb38afd55d 100644
--- a/src/COMPRESS/dump_atom_zstd.cpp
+++ b/src/COMPRESS/dump_atom_zstd.cpp
@@ -17,14 +17,14 @@
 
 #ifdef LAMMPS_ZSTD
 
-#include "dump_atom_zstd.h"
 #include "domain.h"
+#include "dump_atom_zstd.h"
 #include "error.h"
+#include "file_writer.h"
 #include "update.h"
-#include "utils.h"
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_cfg_gz.cpp b/src/COMPRESS/dump_cfg_gz.cpp
index 2d48e02f3cd02c600a73a9a9de9cbfeec05c708a..18f0fa56d7315452bf37ee7c40ed07b72fb0f713 100644
--- a/src/COMPRESS/dump_cfg_gz.cpp
+++ b/src/COMPRESS/dump_cfg_gz.cpp
@@ -16,10 +16,10 @@
 #include "domain.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 #define UNWRAPEXPAND 10.0
diff --git a/src/COMPRESS/dump_cfg_zstd.cpp b/src/COMPRESS/dump_cfg_zstd.cpp
index 0f74e2550b77f845b7bf9933762344a3fc442fff..5948a3f83e4f7143d4bb26b94953c6e0e085e580 100644
--- a/src/COMPRESS/dump_cfg_zstd.cpp
+++ b/src/COMPRESS/dump_cfg_zstd.cpp
@@ -16,15 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #ifdef LAMMPS_ZSTD
-#include "dump_cfg_zstd.h"
+
 #include "atom.h"
 #include "domain.h"
+#include "dump_cfg_zstd.h"
 #include "error.h"
+#include "file_writer.h"
 #include "update.h"
-#include "utils.h"
 
 #include <cstring>
-#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 #define UNWRAPEXPAND 10.0
diff --git a/src/COMPRESS/dump_custom_gz.cpp b/src/COMPRESS/dump_custom_gz.cpp
index 35a2d25a2a5d09190e7a88731e1952259e38ad19..fb2b121f7f873c6b878f5762f4566ef9993d2653 100644
--- a/src/COMPRESS/dump_custom_gz.cpp
+++ b/src/COMPRESS/dump_custom_gz.cpp
@@ -15,10 +15,10 @@
 #include "domain.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_custom_zstd.cpp b/src/COMPRESS/dump_custom_zstd.cpp
index 395ba51fdcde3ab6465d932e3d10c8dabff8f0b8..c7ede3b38ceadd5602691f07ef2ec7d7d476dc48 100644
--- a/src/COMPRESS/dump_custom_zstd.cpp
+++ b/src/COMPRESS/dump_custom_zstd.cpp
@@ -17,14 +17,14 @@
 
 #ifdef LAMMPS_ZSTD
 
-#include "dump_custom_zstd.h"
 #include "domain.h"
+#include "dump_custom_zstd.h"
 #include "error.h"
+#include "file_writer.h"
 #include "update.h"
-#include "utils.h"
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_local_gz.cpp b/src/COMPRESS/dump_local_gz.cpp
index a346de31277ba47ca22e1538551b6feaccefcabb..49a3c3bef2d727732be5230b9c746854f006bbe0 100644
--- a/src/COMPRESS/dump_local_gz.cpp
+++ b/src/COMPRESS/dump_local_gz.cpp
@@ -15,10 +15,10 @@
 #include "domain.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_local_zstd.cpp b/src/COMPRESS/dump_local_zstd.cpp
index 3e658fd0702135ceb9982acbf7434e31f9eae4ba..9393654dd63857c5387e0bcf6d2f266edbadb075 100644
--- a/src/COMPRESS/dump_local_zstd.cpp
+++ b/src/COMPRESS/dump_local_zstd.cpp
@@ -21,10 +21,10 @@
 #include "domain.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_xyz_gz.cpp b/src/COMPRESS/dump_xyz_gz.cpp
index 79d2d209972223e3c6d669245005e45a0b6b3500..cc07b1ce61808f1643fd6165eeb60fe648f20402 100644
--- a/src/COMPRESS/dump_xyz_gz.cpp
+++ b/src/COMPRESS/dump_xyz_gz.cpp
@@ -14,10 +14,10 @@
 #include "dump_xyz_gz.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 #include <cstring>
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/COMPRESS/dump_xyz_zstd.cpp b/src/COMPRESS/dump_xyz_zstd.cpp
index 066609eebbafc32ca561b85fad04ffb2f4558166..eb0600f34b3db62824c2301da696bea0939cdfc5 100644
--- a/src/COMPRESS/dump_xyz_zstd.cpp
+++ b/src/COMPRESS/dump_xyz_zstd.cpp
@@ -19,11 +19,10 @@
 
 #include "dump_xyz_zstd.h"
 #include "error.h"
+#include "file_writer.h"
 #include "update.h"
-#include "utils.h"
 
 #include <cstring>
-#include "fmt/format.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/CORESHELL/compute_temp_cs.cpp b/src/CORESHELL/compute_temp_cs.cpp
index d8f952551d83016438af63c4c9107e6c144695e7..1b7eb1e43f5fce64afbc942f77490d55540da41f 100644
--- a/src/CORESHELL/compute_temp_cs.cpp
+++ b/src/CORESHELL/compute_temp_cs.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_cs.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "domain.h"
@@ -31,7 +31,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/DIPOLE/atom_vec_dipole.cpp b/src/DIPOLE/atom_vec_dipole.cpp
index b6895be3012fdfa58edc937fef4840d2fb695f9e..4193b5c6a864265640938c7fa1b8a08ebc19e1bd 100644
--- a/src/DIPOLE/atom_vec_dipole.cpp
+++ b/src/DIPOLE/atom_vec_dipole.cpp
@@ -12,15 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_dipole.h"
-#include <cmath>
+
 #include "atom.h"
-#include "comm.h"
-#include "domain.h"
-#include "modify.h"
-#include "fix.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
index 8f91420043ff892a7bd80d17a1f33094727ac40b..25fed599db048a62bae66ccf117addde3b7b1fcb 100644
--- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
+++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_dipole_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -23,7 +23,7 @@
 #include "memory.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp
index 73aa628296e45acdf44e89ab409490dbae80138b..67d2e0aa3ceca1802661904a2f1d692dd487c987 100644
--- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp
+++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_dipole_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -25,7 +25,7 @@
 #include "memory.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp
index f7c8251e79e570796117fcb40ba56988f1223919..86e143626df0db59c62ec708c88716f33af55218 100644
--- a/src/DIPOLE/pair_lj_long_dipole_long.cpp
+++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_long_dipole_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_const.h"
@@ -30,7 +30,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/GPU/fix_gpu.cpp b/src/GPU/fix_gpu.cpp
index 0552d23cdbe6492a91f41d13a3b01955508314de..15bc42c37ec46c6f5d3169848e8cff86318655ed 100644
--- a/src/GPU/fix_gpu.cpp
+++ b/src/GPU/fix_gpu.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_gpu.h"
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "pair.h"
@@ -30,7 +30,7 @@
 #include "neighbor.h"
 #include "citeme.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp
index 28386f5fd5469d7ddccd5a5317e0d46c5a3d9cb6..86467f49c0ac6efc6e8a03aca1174fab54ffa227 100644
--- a/src/GPU/pair_beck_gpu.cpp
+++ b/src/GPU/pair_beck_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_beck_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_born_coul_long_cs_gpu.cpp b/src/GPU/pair_born_coul_long_cs_gpu.cpp
index 8bc99a3d4902e2f2e862cf89b0ff766e9e1ce2fa..c27c670f2ac276dd6b4e868d12d2ebc7dec71825 100644
--- a/src/GPU/pair_born_coul_long_cs_gpu.cpp
+++ b/src/GPU/pair_born_coul_long_cs_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_born_coul_long_cs_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp
index 5dd4c3421f8b8b5ee3b54ea80ea3f58741250d9d..a2524909e5dc6350ee188c48fd95625b3d331ede 100644
--- a/src/GPU/pair_born_coul_long_gpu.cpp
+++ b/src/GPU/pair_born_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_born_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
index 4ba28c25aa02dd793080af7e33bbb7510293c8f3..cf54b72cf584e17e5810cbc5d22f78dd676539d8 100644
--- a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
+++ b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_born_coul_wolf_cs_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp
index b5e0edea6d29ad2ad6400b5d420ba5facb20310e..e9aa951236d41be5fcec8bcd8a4b70037ee7cb1b 100644
--- a/src/GPU/pair_born_coul_wolf_gpu.cpp
+++ b/src/GPU/pair_born_coul_wolf_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_born_coul_wolf_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp
index a5e94389b6a1b9d740162a44bc57f46c6b92b2e5..5a5a6d2a363b91838d98031730bcd24a5ec61b95 100644
--- a/src/GPU/pair_born_gpu.cpp
+++ b/src/GPU/pair_born_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_born_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp
index 1a5479ea1d6ae2d0abecdc3abf0ad4085e0498eb..de9f0d1ebad6de471f68b3af366510bff2957abc 100644
--- a/src/GPU/pair_buck_coul_cut_gpu.cpp
+++ b/src/GPU/pair_buck_coul_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_buck_coul_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp
index 221e178b57b6038b6857d5a52f201a3b3e11664c..41823fc27eda3dd7df7118b433f0790e28307080 100644
--- a/src/GPU/pair_buck_coul_long_gpu.cpp
+++ b/src/GPU/pair_buck_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_buck_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp
index 07107750e63c3c1d5d0ab7600ff3cc8e97e598c3..1f7abc06bc4998b02559ab589ca5292a1156e4d4 100644
--- a/src/GPU/pair_buck_gpu.cpp
+++ b/src/GPU/pair_buck_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_buck_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp
index a7cafbe75a05d51b09e2e950ed536fc9dfbf3d80..39737ab18311679518db77ed954d38f891f5f2ee 100644
--- a/src/GPU/pair_colloid_gpu.cpp
+++ b/src/GPU/pair_colloid_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_colloid_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp
index bacbdbb1a026e894ede48d06ff51bc61ae0b9976..34a76c1dff1545480cf801a50a5422b455a77acf 100644
--- a/src/GPU/pair_coul_cut_gpu.cpp
+++ b/src/GPU/pair_coul_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_coul_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp
index 96be67a1faa111cebec456d9ea1595c7a2dd0cd9..40fb359484fcbe3116c16024760c014950fab7ca 100644
--- a/src/GPU/pair_coul_debye_gpu.cpp
+++ b/src/GPU/pair_coul_debye_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_coul_debye_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp
index 244941c117cb1b3aa794406ddc83f3c47da96c70..8c05d14aeffed3d62b66d7cd2a7915e17c61c695 100644
--- a/src/GPU/pair_coul_dsf_gpu.cpp
+++ b/src/GPU/pair_coul_dsf_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_coul_dsf_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_coul_long_cs_gpu.cpp b/src/GPU/pair_coul_long_cs_gpu.cpp
index bcbf7216e2235476dccd02d22b180519a9f10c42..da59873dd20443e141cfa2943769fd8e0def2162 100644
--- a/src/GPU/pair_coul_long_cs_gpu.cpp
+++ b/src/GPU/pair_coul_long_cs_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_coul_long_cs_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp
index fcfb20f3cea076b1449da90a63aaec1fbf166d9b..185d3a7f94d96b6747373f92b0cbda9e0ba93294 100644
--- a/src/GPU/pair_coul_long_gpu.cpp
+++ b/src/GPU/pair_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp
index a2e20d016c8a3a2d0e94718839284cf08b118882..d41be6d8c24b08f11635789d334f4cfde225990e 100644
--- a/src/GPU/pair_dpd_gpu.cpp
+++ b/src/GPU/pair_dpd_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_dpd_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp
index 991c6d900f5ff5f16cb865e2e1ee487224b879db..33d7178faacbea760a25ac7af85fbe7bf72aa456 100644
--- a/src/GPU/pair_dpd_tstat_gpu.cpp
+++ b/src/GPU/pair_dpd_tstat_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_dpd_tstat_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp
index 08ffaef978a5b9bf20023b17a0119639d19a166f..4939537770bee72aafcf0a63b6a5a95c249accc1 100644
--- a/src/GPU/pair_eam_alloy_gpu.cpp
+++ b/src/GPU/pair_eam_alloy_gpu.cpp
@@ -17,7 +17,7 @@
 
 #include "pair_eam_alloy_gpu.h"
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -29,7 +29,7 @@
 #include "neigh_request.h"
 #include "gpu_extra.h"
 #include "domain.h"
-#include "utils.h"
+
 #include "suffix.h"
 #include "tokenizer.h"
 #include "potential_file_reader.h"
diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp
index a82107749b17c6a60908273fba481435724eda01..eb028bc778b744e989dbf2d49b5495af3717a5bb 100644
--- a/src/GPU/pair_eam_fs_gpu.cpp
+++ b/src/GPU/pair_eam_fs_gpu.cpp
@@ -17,7 +17,7 @@
 
 #include "pair_eam_fs_gpu.h"
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -30,7 +30,7 @@
 #include "gpu_extra.h"
 #include "domain.h"
 #include "suffix.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp
index 1aac379c35b3057a37d70478aadb6e3b006eb139..3965f27c675e70e562c22336d881cdfd23aad21e 100644
--- a/src/GPU/pair_eam_gpu.cpp
+++ b/src/GPU/pair_eam_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_eam_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp
index eb83d5af441ec2e20cb37b84250a26fdadfdcf3b..51d4851dc5a91cee4be1804562dc27d220aab1ab 100644
--- a/src/GPU/pair_gauss_gpu.cpp
+++ b/src/GPU/pair_gauss_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_gauss_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp
index 83b24f87744a2b50bbf1bb9d3269a10a60c1a7e0..451799027baf4ea972d5570213c810c9d04a2272 100644
--- a/src/GPU/pair_gayberne_gpu.cpp
+++ b/src/GPU/pair_gayberne_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_gayberne_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp
index 7b0d45a43770ce812e620841a7360669c0094ce6..215998bc88a3727fd67141da31bfad8c8d206824 100644
--- a/src/GPU/pair_lj96_cut_gpu.cpp
+++ b/src/GPU/pair_lj96_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj96_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
index b08ad5e2329b3e77af5cdaefde0171126f5b864a..09ed178200bda130aa8989f29ed0ee727a8f65c8 100644
--- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_charmm_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp
index 46ecaea9b8b69acc12b6118fe1cf3447d1c708e7..f6d671d95a86461a23c2b7711cf6b7c04ff9e49c 100644
--- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_class2_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp
index a7ca661927c1757a4001f5d13c8b648677a3813d..fbd6aea08cd10702459b2be8f45532763b225e67 100644
--- a/src/GPU/pair_lj_class2_gpu.cpp
+++ b/src/GPU/pair_lj_class2_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_class2_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cubic_gpu.cpp b/src/GPU/pair_lj_cubic_gpu.cpp
index 38f6e1f908ae7fe810c35cc6156c84f762cd63c1..28e74d8f396a30c3171551fa168e97bf32bfcc80 100644
--- a/src/GPU/pair_lj_cubic_gpu.cpp
+++ b/src/GPU/pair_lj_cubic_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cubic_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
index 54f0e92bd50fd1cbd05d59aa34952251aa3a0673..48770d27131ab838b7cddfde3ce645bcc89d30b6 100644
--- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_coul_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
index e7b1ac5002d72e1d66ae0690eff8f860543a82a2..45c3cc82a0c9a5b32823c38e5ee981c2ebd31f9f 100644
--- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_coul_debye_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
index 5d1f4f70bef08121779d0f282760bf68101b9604..784c0e379d3eac339a4dcce04e6166e987fa27e6 100644
--- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_coul_dsf_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp
index dff2ba28d47eca5a75b0c7583b6cdfbf5e9f2c25..2a9d431a427ac9ec1a8ab6d6179b5a506089ecfd 100644
--- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
index 2f965d6476ac08c2e01bd3147e10aa9259523144..f5987c0ddfc94a968965081674714c065fd63f9a 100644
--- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
+++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_coul_msm_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
index 43c2a1e9b7d02792e08f88790c984ac6dc1f23f4..ac053037d80ac665e73c5442e2c6bf3b11019bac 100644
--- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_dipole_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
index 9416ede51670c2662ad889838f5de240969567b8..7de9ae2aa69bce4eff8458709014511db3326a26 100644
--- a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
+++ b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_dipole_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp
index 27924361f228b3ca9a1c966c2398a7d7e7053aca..5656c2e18d17c79477a83a1f4b9f5f00b3d454e4 100644
--- a/src/GPU/pair_lj_cut_gpu.cpp
+++ b/src/GPU/pair_lj_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp
index 7c1bb74158480fda3b3807072b057f89b5fe82fa..2bd7420e72b83fe2aad96d45a7c9ab7fe7cdf63d 100644
--- a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp
+++ b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp
@@ -17,7 +17,7 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_lj_cut_tip4p_long_gpu.h"
 #include "atom.h"
diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.cpp b/src/GPU/pair_lj_expand_coul_long_gpu.cpp
index 54eb4d47e6babe2232083933f388ec20b8cb4339..f13eea51e75c2ee72a7545ad0d508852ed1d8b09 100644
--- a/src/GPU/pair_lj_expand_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_expand_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_expand_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp
index 32c35420a22cd64f17235cc3f28b3e96d5243b36..bdfa30b9651b770cfab24fbc7bd1a54991d163c6 100644
--- a/src/GPU/pair_lj_expand_gpu.cpp
+++ b/src/GPU/pair_lj_expand_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_expand_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp
index d7122cb5f3c6bf5821732c20851d0421f02df244..6d6abdb40d66b5f8e4e8b27a16696f1cb598ee5f 100644
--- a/src/GPU/pair_lj_gromacs_gpu.cpp
+++ b/src/GPU/pair_lj_gromacs_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_gromacs_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
index cd76bbd2e9cd87c184517ee4181f9b8f8bb22f8b..4054f08523c7bd85abc9dc2d4794cc6efce7c9ba 100644
--- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
+++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_sdk_coul_long_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp
index 5f07bdbb6c1334e23c0fa74f7f92f9404f7db2d2..2016d1db2cc9cda04087e542c1a5faf84fcb512b 100644
--- a/src/GPU/pair_lj_sdk_gpu.cpp
+++ b/src/GPU/pair_lj_sdk_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_sdk_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
index a9ddf81bf094371e54d8d36fbd73e35a21b03e6a..e6834298f374f0a5ea31cd20c27cc1323111e82e 100644
--- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
+++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_lj_sf_dipole_sf_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp
index 4db07ab79e53ed070b54584e1a4aa5679625e0c5..60e6e935e85355109f73de8ea6e61655259b4830 100644
--- a/src/GPU/pair_mie_cut_gpu.cpp
+++ b/src/GPU/pair_mie_cut_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_mie_cut_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp
index fc966f6533784054e30d6c7b28cd5b9ae5115a6e..a256f500ceed0451dee936381dcad68b1297376e 100644
--- a/src/GPU/pair_morse_gpu.cpp
+++ b/src/GPU/pair_morse_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_morse_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp
index 0bcabb451c8920f3c6505359f49d60575e66788d..ca70e3c3377c314c448ef266b74ef18bc945faed 100644
--- a/src/GPU/pair_resquared_gpu.cpp
+++ b/src/GPU/pair_resquared_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_resquared_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp
index 48a4f689ff2a84e352ca2c856d857540b12950e8..49c27f515df58cc5ed764628afda55427a33e4c3 100644
--- a/src/GPU/pair_soft_gpu.cpp
+++ b/src/GPU/pair_soft_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_soft_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp
index 4c4502828d56f171a76c24d5f437e6a5f7046a76..d544534c9d72bc1f02bb7a7dd67b641e09f39c32 100644
--- a/src/GPU/pair_sw_gpu.cpp
+++ b/src/GPU/pair_sw_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_sw_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp
index 858a2107dc211d80152f26ff9190107ae6c4b2e2..4ac674aa94ce5aa2a4ac85af431fb26c25dce964 100644
--- a/src/GPU/pair_table_gpu.cpp
+++ b/src/GPU/pair_table_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_table_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_tersoff_gpu.cpp b/src/GPU/pair_tersoff_gpu.cpp
index d7b1ef5dd50c18c7ec7951e2fdbf8188dd79f9fd..885dd73d9ed67392610f847e7fee2b66d5603765 100644
--- a/src/GPU/pair_tersoff_gpu.cpp
+++ b/src/GPU/pair_tersoff_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_tersoff_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
diff --git a/src/GPU/pair_tersoff_mod_gpu.cpp b/src/GPU/pair_tersoff_mod_gpu.cpp
index 1b3504590284c98c7350f6203df4e8d7c21c70ce..35edd9ea220d064b2debc801a63e116a87fe6329 100644
--- a/src/GPU/pair_tersoff_mod_gpu.cpp
+++ b/src/GPU/pair_tersoff_mod_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_tersoff_mod_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
diff --git a/src/GPU/pair_tersoff_zbl_gpu.cpp b/src/GPU/pair_tersoff_zbl_gpu.cpp
index ae50552f149dcfb4cd0f1e1d2145e0339b2ce10e..73251ee726f2a9b23a6a573562b69a32f0fb1497 100644
--- a/src/GPU/pair_tersoff_zbl_gpu.cpp
+++ b/src/GPU/pair_tersoff_zbl_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_tersoff_zbl_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
diff --git a/src/GPU/pair_ufm_gpu.cpp b/src/GPU/pair_ufm_gpu.cpp
index 2b4cc2269f4bfe0035d6aa9a36edb7c59221bcbb..fe6adfef12b5618b65dba3442857bb6031281f3f 100644
--- a/src/GPU/pair_ufm_gpu.cpp
+++ b/src/GPU/pair_ufm_gpu.cpp
@@ -20,7 +20,7 @@
 #include "pair_ufm_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_vashishta_gpu.cpp b/src/GPU/pair_vashishta_gpu.cpp
index ccd277313016e82b2cc9bf9e5be4fa059bb1f721..868b8de0c0e2528d107a63af3a0ffb32ca2e80aa 100644
--- a/src/GPU/pair_vashishta_gpu.cpp
+++ b/src/GPU/pair_vashishta_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_vashishta_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp
index c3439e3306b07b1f6a833895cf977802d547bd17..3c7b2f5ba7dd9868590e7307bcc8cefeea1be94c 100644
--- a/src/GPU/pair_yukawa_colloid_gpu.cpp
+++ b/src/GPU/pair_yukawa_colloid_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_yukawa_colloid_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp
index b9b9d6e0a49751bacaab9f99466680fd3db04277..8147609f45d12ee2a2e926b577407792b30c6ab0 100644
--- a/src/GPU/pair_yukawa_gpu.cpp
+++ b/src/GPU/pair_yukawa_gpu.cpp
@@ -18,7 +18,7 @@
 #include "pair_yukawa_gpu.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GPU/pair_zbl_gpu.cpp b/src/GPU/pair_zbl_gpu.cpp
index d0cbfa1d7c30646c9ab769f491f4ebaa9090af9f..0472d9b7c10f1b60f5a1e3558bbc208fd458d371 100644
--- a/src/GPU/pair_zbl_gpu.cpp
+++ b/src/GPU/pair_zbl_gpu.cpp
@@ -19,7 +19,7 @@
 #include "lmptype.h"
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/GRANULAR/fix_freeze.cpp b/src/GRANULAR/fix_freeze.cpp
index 1df5c9d0a8e945ea17ed51bd7deb95a3b6e3c9dd..dd68aa032f3d437b499e6d8db6977cf1519c874c 100644
--- a/src/GRANULAR/fix_freeze.cpp
+++ b/src/GRANULAR/fix_freeze.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_freeze.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/GRANULAR/fix_pour.cpp b/src/GRANULAR/fix_pour.cpp
index 879f48e023963d250d19d35745d7fa8332a93261..d449bb5614fa04f15991deb1e20a93bcbb06b393 100644
--- a/src/GRANULAR/fix_pour.cpp
+++ b/src/GRANULAR/fix_pour.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_pour.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -32,7 +32,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp
index a8cd808411610fa106881d11438ebb138c2b9665..68a7803f4bf62cb9726b7b9c139e11cb27649156 100644
--- a/src/GRANULAR/pair_gran_hooke_history.cpp
+++ b/src/GRANULAR/pair_gran_hooke_history.cpp
@@ -16,10 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gran_hooke_history.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -33,7 +33,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp
index 88a9fe36f074b274a270d57c1c8466c09f27fbe0..ee0eb2ad774fe655f0d1d7556a456a38b5d26ff1 100644
--- a/src/GRANULAR/pair_granular.cpp
+++ b/src/GRANULAR/pair_granular.cpp
@@ -18,10 +18,10 @@
 ----------------------------------------------------------------------- */
 
 #include "pair_granular.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -37,7 +37,7 @@
 #include "error.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KIM/kim_init.cpp b/src/KIM/kim_init.cpp
index 5e3bd934a95156f9bf26264c87f9211817e5acea..684108be715363b2dddee3ea37611dc27419ffd4 100644
--- a/src/KIM/kim_init.cpp
+++ b/src/KIM/kim_init.cpp
@@ -57,24 +57,19 @@
 ------------------------------------------------------------------------- */
 
 #include "kim_init.h"
-#include "fix_store_kim.h"
-#include "kim_units.h"
-#include <cstring>
-#include <string>
-#include <sstream>
-#include <iomanip>
-#include "error.h"
-#include "atom.h"
+
+#include "citeme.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "fix_store_kim.h"
+#include "input.h"
+#include "kim_units.h"
 #include "modify.h"
-#include "update.h"
 #include "universe.h"
-#include "input.h"
 #include "variable.h"
-#include "citeme.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 extern "C" {
 #include "KIM_SimulatorHeaders.h"
diff --git a/src/KIM/kim_init.h b/src/KIM/kim_init.h
index 3311d4e13d2c45aa8a05a772c9a773bd7a17184f..8fa3247b228d4314f0e5f89613af90c0645030ba 100644
--- a/src/KIM/kim_init.h
+++ b/src/KIM/kim_init.h
@@ -66,7 +66,6 @@ CommandStyle(kim_init,KimInit)
 #define LMP_KIM_INIT_H
 
 #include "pointers.h"
-#include <string>
 
 // Forward declaration.
 typedef struct KIM_Model KIM_Model;
diff --git a/src/KIM/kim_interactions.cpp b/src/KIM/kim_interactions.cpp
index a91c615d09716f432fbec56cc01915f85cade4be..5f45dd34dc341672437f04039e375ab67e8f59de 100644
--- a/src/KIM/kim_interactions.cpp
+++ b/src/KIM/kim_interactions.cpp
@@ -57,23 +57,18 @@
 ------------------------------------------------------------------------- */
 
 #include "kim_interactions.h"
-#include <cstring>
-#include <cstdio>
-#include <string>
-#include <sstream>
-#include <vector>
-#include "error.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "fix_store_kim.h"
+#include "input.h"
 #include "modify.h"
 #include "update.h"
-#include "universe.h"
-#include "input.h"
-#include "variable.h"
-#include "utils.h"
-#include "fix_store_kim.h"
-#include "fmt/format.h"
+
+#include <cstring>
+#include <vector>
 
 extern "C" {
 #include "KIM_SimulatorHeaders.h"
diff --git a/src/KIM/kim_interactions.h b/src/KIM/kim_interactions.h
index 414c7b39d5f3684acd563dce8e17f6ecf207c8bf..071e5b284faaa9edb9317bde06cc6ea31c56540d 100644
--- a/src/KIM/kim_interactions.h
+++ b/src/KIM/kim_interactions.h
@@ -66,7 +66,6 @@ CommandStyle(kim_interactions,KimInteractions)
 #define LMP_KIM_INTERACTIONS_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/KIM/kim_param.cpp b/src/KIM/kim_param.cpp
index 6df8c075dc7dd3069256a6494059e4911e902d29..6f4ac5cc21e1f98554f717017099fe282cb5665e 100644
--- a/src/KIM/kim_param.cpp
+++ b/src/KIM/kim_param.cpp
@@ -56,19 +56,17 @@
 ------------------------------------------------------------------------- */
 
 #include "kim_param.h"
-#include "fix_store_kim.h"
-#include "pair_kim.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <sstream>
-#include "comm.h"
+
 #include "error.h"
+#include "fix_store_kim.h"
+#include "force.h"
 #include "input.h"
 #include "modify.h"
+#include "pair_kim.h"
 #include "variable.h"
-#include "force.h"
-#include "fmt/format.h"
+
+#include <cstring>
+#include <sstream>
 
 extern "C"
 {
diff --git a/src/KIM/kim_param.h b/src/KIM/kim_param.h
index a4e26451f2b55b67876aabe45f309d04f4cdd9e9..e4fc5ce59a96ba4593ac0a87af297c10bc8ff0bb 100644
--- a/src/KIM/kim_param.h
+++ b/src/KIM/kim_param.h
@@ -65,7 +65,6 @@ CommandStyle(kim_param, KimParam)
 #define LMP_KIM_PARAM_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS
 {
diff --git a/src/KIM/kim_property.cpp b/src/KIM/kim_property.cpp
index 643e0da47b95e953e4265b0ec69e8bedb27ebe96..95a12748596609d99fc179fe9458919fea1cd11e 100644
--- a/src/KIM/kim_property.cpp
+++ b/src/KIM/kim_property.cpp
@@ -53,21 +53,18 @@
    Designed for use with the kim-api-2.1.0 (and newer) package
 ------------------------------------------------------------------------- */
 
-#if LMP_PYTHON
-#define PY_SSIZE_T_CLEAN
-#include <Python.h>
-#endif
-
 #include "kim_property.h"
 
 #include "comm.h"
-#include "input.h"
-#include "variable.h"
-#include "utils.h"
 #include "error.h"
+#include "input.h"
 #include "lmppython.h"
+#include "variable.h"
 
-#include <string>
+#if LMP_PYTHON
+#define PY_SSIZE_T_CLEAN
+#include <Python.h>             // IWYU pragma: export
+#endif
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KIM/kim_query.cpp b/src/KIM/kim_query.cpp
index 4a1db9450d96fdf696fe0ca0ab2ddfc4f6b9b540..ec13210665cf897e09f1de018d49b06ca04fafdc 100644
--- a/src/KIM/kim_query.cpp
+++ b/src/KIM/kim_query.cpp
@@ -56,24 +56,22 @@
 ------------------------------------------------------------------------- */
 
 #include "kim_query.h"
-#include "fix_store_kim.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <sstream>
+
 #include "comm.h"
 #include "error.h"
+#include "fix_store_kim.h"
+#include "info.h"
 #include "input.h"
 #include "modify.h"
 #include "variable.h"
 #include "version.h"
-#include "info.h"
-#include "fmt/format.h"
+
+#include <cstring>
+#include <sstream>
 
 #if defined(LMP_KIM_CURL)
 #include <sys/types.h>
 #include <curl/curl.h>
-#include <cstdlib>
 #endif
 
 using namespace LAMMPS_NS;
diff --git a/src/KIM/kim_query.h b/src/KIM/kim_query.h
index 6888f911f4baae98473398d930e079137dddac7f..e1c49ed71d33c3f5d9cd73685d52a7cd23323cdd 100644
--- a/src/KIM/kim_query.h
+++ b/src/KIM/kim_query.h
@@ -64,7 +64,6 @@ CommandStyle(kim_query,KimQuery)
 #define LMP_KIM_QUERY_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/KIM/kim_units.cpp b/src/KIM/kim_units.cpp
index c0c1aee07c9d554410404b00f9dcc9b93c20f3c8..77dbad6f1d20e7cb66e975262d19db7836432e2e 100644
--- a/src/KIM/kim_units.cpp
+++ b/src/KIM/kim_units.cpp
@@ -57,6 +57,8 @@
 #include <math.h>
 #include <string>
 #include <map>
+#include <utility>
+
 using namespace std;
 
 namespace
diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp
index 69586b55d62feab5bae167b907b44212ee88dbcd..7ed70972c5060cad0c7f00e08a6594e9d4637634 100644
--- a/src/KIM/pair_kim.cpp
+++ b/src/KIM/pair_kim.cpp
@@ -55,21 +55,20 @@
    Designed for use with the kim-api-2.0.2 (and newer) package
 ------------------------------------------------------------------------- */
 #include "pair_kim.h"
-#include <cstring>
-#include <cstdlib>
-#include <string>
-#include <sstream>
+
 #include "atom.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "update.h"
-#include "memory.h"
-#include "domain.h"
-#include "utils.h"
-#include "error.h"
+
+#include <cstring>
+#include <sstream>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h
index 1f2c8c8599f57f6808ce610664b332952ab52562..0c2e8d2684ca1bd1275811430745772f8381808b 100644
--- a/src/KIM/pair_kim.h
+++ b/src/KIM/pair_kim.h
@@ -65,7 +65,6 @@ PairStyle(kim,PairKIM)
 // includes from KIM & LAMMPS
 class KIM_API_model;
 #include "pair.h"
-#include <string>
 
 extern "C" {
 #include "KIM_SimulatorHeaders.h"
diff --git a/src/KOKKOS/angle_charmm_kokkos.cpp b/src/KOKKOS/angle_charmm_kokkos.cpp
index 288e5a475b1e97c5c53018d643b04b2239e5fe5e..59ccac92cef7821f758863165fa5249e42ae85d4 100644
--- a/src/KOKKOS/angle_charmm_kokkos.cpp
+++ b/src/KOKKOS/angle_charmm_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_charmm_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/angle_class2_kokkos.cpp b/src/KOKKOS/angle_class2_kokkos.cpp
index ebb016b31bd78fda5469aea2666319295ff28c5b..bfa0f81a1df521de4d1ac183b324a7499caa8b9e 100644
--- a/src/KOKKOS/angle_class2_kokkos.cpp
+++ b/src/KOKKOS/angle_class2_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_class2_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/angle_cosine_kokkos.cpp b/src/KOKKOS/angle_cosine_kokkos.cpp
index 960988b3b50d7c7392f66e9797f5f2a5af133a3e..cf93bfbde50d16a3c93154f51dd2a54fa2386637 100644
--- a/src/KOKKOS/angle_cosine_kokkos.cpp
+++ b/src/KOKKOS/angle_cosine_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/angle_harmonic_kokkos.cpp b/src/KOKKOS/angle_harmonic_kokkos.cpp
index bc08ff4b6554feb7f4b93eef924b8ab02c4c857f..3a8878d222057f2e23dc310c3acc5c7db80cead7 100644
--- a/src/KOKKOS/angle_harmonic_kokkos.cpp
+++ b/src/KOKKOS/angle_harmonic_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_harmonic_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h
index ce480f6f9d26d6bb9ccb49f133b995cd8471844f..6eebbad661bd8c89494f4a1960cf99fda6dba2ff 100644
--- a/src/KOKKOS/atom_kokkos.h
+++ b/src/KOKKOS/atom_kokkos.h
@@ -11,7 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include "atom.h"
+#include "atom.h"               // IWYU pragma: export
 #include "kokkos_type.h"
 
 #ifndef LMP_ATOM_KOKKOS_H
diff --git a/src/KOKKOS/atom_vec_angle_kokkos.cpp b/src/KOKKOS/atom_vec_angle_kokkos.cpp
index e9fee6d8f6a9d3a0a8bd07acf0d2913e2f0ef1a8..662f09fe5a008b7d171d81634a35001d41657644 100644
--- a/src/KOKKOS/atom_vec_angle_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_angle_kokkos.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_angle_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
index 7a66dc753a88fac40b50415ece5a8059684f8fe7..995985b29df4ff14bc4763b364f0ca4b3ae3f267 100644
--- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_atomic_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_bond_kokkos.cpp b/src/KOKKOS/atom_vec_bond_kokkos.cpp
index 157f194125ed889c7a2b694dd00c846560b68e93..db56d58dffbac5ba982548555787459cbdeeb3c4 100644
--- a/src/KOKKOS/atom_vec_bond_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_bond_kokkos.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_bond_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_charge_kokkos.cpp b/src/KOKKOS/atom_vec_charge_kokkos.cpp
index 8f468b8e46ebd52b7d0b1a097061ae1c6b11c253..9846d2f4f83541088bbee94a8a855450ce6ddcc2 100644
--- a/src/KOKKOS/atom_vec_charge_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_charge_kokkos.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_charge_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp
index 5319744c22405304c6e44254d56aa40034faaf70..b112605859853af7f94be334915f523027798da2 100644
--- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp
@@ -20,7 +20,7 @@
 #include "atom_masks.h"
 #include "memory_kokkos.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_full_kokkos.cpp b/src/KOKKOS/atom_vec_full_kokkos.cpp
index 5d5833af07079545dcc960b42375fa62019124db..89275c70674047a2aef8565ac80ef92d03070c71 100644
--- a/src/KOKKOS/atom_vec_full_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_full_kokkos.cpp
@@ -20,7 +20,7 @@
 #include "atom_masks.h"
 #include "memory_kokkos.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
index 0cc609f91cc8a3aaef13571fb2dfe232ee3d4f01..7c7f3c98260b4325f6c6f4fe287f49aa6a3019c8 100644
--- a/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_hybrid_kokkos.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_hybrid_kokkos.h"
-#include <cstring>
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
-#include "utils.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -1177,7 +1178,7 @@ void AtomVecHybridKokkos::build_styles()
   allstyles[nallstyles] = new char[n];      \
   strcpy(allstyles[nallstyles],#key);       \
   nallstyles++;
-#include "style_atom.h"
+#include "style_atom.h"         // IWYU pragma: keep
 #undef AtomStyle
 #undef ATOM_CLASS
 }
diff --git a/src/KOKKOS/atom_vec_kokkos.cpp b/src/KOKKOS/atom_vec_kokkos.cpp
index b0fca4e316637cc67f8556ebd3edd2b13732bb8f..9e39f537335843430b897063468c5b8a546c5d82 100644
--- a/src/KOKKOS/atom_vec_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_kokkos.cpp
@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "atom_masks.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_kokkos.h b/src/KOKKOS/atom_vec_kokkos.h
index 7d8796b1ae18bc34e649279be0993f0053d6c63f..d414101966d1626a0efc807c61c17c38544f6e85 100644
--- a/src/KOKKOS/atom_vec_kokkos.h
+++ b/src/KOKKOS/atom_vec_kokkos.h
@@ -14,7 +14,8 @@
 #ifndef LMP_ATOM_VEC_KOKKOS_H
 #define LMP_ATOM_VEC_KOKKOS_H
 
-#include "atom_vec.h"
+#include "atom_vec.h"           //  IWYU pragma: export
+
 #include "kokkos_type.h"
 #include <type_traits>
 
diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.cpp b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
index 7832d6f9b0eb43dcbd907120f2b72ffaf414721d..7e3cdbf5e3d572930434520ba036cf86afd6f3bb 100644
--- a/src/KOKKOS/atom_vec_molecular_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_molecular_kokkos.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_molecular_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/atom_vec_sphere_kokkos.cpp b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
index b1099d0fa6e4c5e61211f71dfda060e6bf627fff..6b62014e4ad3c570789f4ff998b7952af40e52bb 100644
--- a/src/KOKKOS/atom_vec_sphere_kokkos.cpp
+++ b/src/KOKKOS/atom_vec_sphere_kokkos.cpp
@@ -12,27 +12,26 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_sphere_kokkos.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom_kokkos.h"
 #include "atom_masks.h"
 #include "comm_kokkos.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_adapt.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
 #include "memory_kokkos.h"
-#include "utils.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
+using namespace MathConst;
 
 #define DELTA 10
 
-static const double MY_PI  = 3.14159265358979323846; // pi
-
 /* ---------------------------------------------------------------------- */
 
 AtomVecSphereKokkos::AtomVecSphereKokkos(LAMMPS *lmp) : AtomVecKokkos(lmp)
diff --git a/src/KOKKOS/bond_class2_kokkos.cpp b/src/KOKKOS/bond_class2_kokkos.cpp
index 88504608f636d434ea2e273a847605c6c81f4ae6..07712df203c5b84328b36b73db15cd7e59718c52 100644
--- a/src/KOKKOS/bond_class2_kokkos.cpp
+++ b/src/KOKKOS/bond_class2_kokkos.cpp
@@ -16,16 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_class2_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/bond_fene_kokkos.cpp b/src/KOKKOS/bond_fene_kokkos.cpp
index e6aa27649fff4a51a216b8b7f2af906937a3dd6d..1ee82476b2907ac6d6ea6deafb45f56efc72b420 100644
--- a/src/KOKKOS/bond_fene_kokkos.cpp
+++ b/src/KOKKOS/bond_fene_kokkos.cpp
@@ -16,16 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_fene_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/bond_harmonic_kokkos.cpp b/src/KOKKOS/bond_harmonic_kokkos.cpp
index ee1b58c91fb92abab8dc1e4a4bb727b7387737ac..20b87784638a9766d56199dbb167ad833aeaf3a0 100644
--- a/src/KOKKOS/bond_harmonic_kokkos.cpp
+++ b/src/KOKKOS/bond_harmonic_kokkos.cpp
@@ -16,19 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_harmonic_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "force.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
 
-using namespace LAMMPS_NS;
+#include <cmath>
 
+using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/KOKKOS/comm_kokkos.cpp b/src/KOKKOS/comm_kokkos.cpp
index 8f865f64592357725d556f84350d03eb292c224e..51ba6bbdb240b776c0e1011cb24538fba905df78 100644
--- a/src/KOKKOS/comm_kokkos.cpp
+++ b/src/KOKKOS/comm_kokkos.cpp
@@ -12,23 +12,24 @@
 ------------------------------------------------------------------------- */
 
 #include "comm_kokkos.h"
-#include "kokkos.h"
+
 #include "atom.h"
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "atom_vec.h"
 #include "atom_vec_kokkos.h"
+#include "compute.h"
 #include "domain.h"
-#include "atom_masks.h"
+#include "dump.h"
 #include "error.h"
-#include "memory_kokkos.h"
-#include "force.h"
-#include "pair.h"
 #include "fix.h"
-#include "compute.h"
-#include "dump.h"
-#include "output.h"
-#include "modify.h"
+#include "force.h"
+#include "kokkos.h"
 #include "kokkos_base.h"
+#include "memory_kokkos.h"
+#include "modify.h"
+#include "output.h"
+#include "pair.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/comm_tiled_kokkos.cpp b/src/KOKKOS/comm_tiled_kokkos.cpp
index a29d9f63b391b25798fd48ff825f481d86ddc15e..88d3d1ac8c20dfd51a79a5e46d7e0b9ebc2a6870 100644
--- a/src/KOKKOS/comm_tiled_kokkos.cpp
+++ b/src/KOKKOS/comm_tiled_kokkos.cpp
@@ -12,22 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "comm_tiled_kokkos.h"
-#include <cstring>
-#include "comm_brick.h"
+
 #include "atom_kokkos.h"
-#include "atom_vec.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
-#include "neighbor.h"
-#include "modify.h"
-#include "fix.h"
-#include "compute.h"
-#include "output.h"
-#include "dump.h"
-#include "memory_kokkos.h"
-#include "error.h"
 #include "atom_masks.h"
+#include "atom_vec.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/compute_coord_atom_kokkos.cpp b/src/KOKKOS/compute_coord_atom_kokkos.cpp
index 90bd151b2d6eb00bd4d4b46878d4324852a43c85..c1f9324942817f1728e0ec959b3c63335fb07d90 100644
--- a/src/KOKKOS/compute_coord_atom_kokkos.cpp
+++ b/src/KOKKOS/compute_coord_atom_kokkos.cpp
@@ -12,22 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_coord_atom_kokkos.h"
-#include <cmath>
-#include <cstring>
-#include "compute_orientorder_atom_kokkos.h"
+
 #include "atom_kokkos.h"
-#include "update.h"
+#include "atom_masks.h"
+#include "comm.h"
+#include "compute_orientorder_atom_kokkos.h"
+#include "error.h"
+#include "memory_kokkos.h"
 #include "modify.h"
-#include "neighbor_kokkos.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "force.h"
-#include "pair.h"
-#include "comm.h"
-#include "group.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/compute_orientorder_atom_kokkos.cpp b/src/KOKKOS/compute_orientorder_atom_kokkos.cpp
index b17434d09abda47df7d1fcec3024b66ccff3c735..6e35dfd94f61d41f3882bd2cee22511958cad296 100644
--- a/src/KOKKOS/compute_orientorder_atom_kokkos.cpp
+++ b/src/KOKKOS/compute_orientorder_atom_kokkos.cpp
@@ -16,23 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_orientorder_atom_kokkos.h"
-#include <cstring>
-#include <cstdlib>
-#include <cmath>
+
 #include "atom_kokkos.h"
-#include "update.h"
-#include "modify.h"
-#include "neighbor_kokkos.h"
+#include "atom_masks.h"
+#include "kokkos.h"
+#include "math_const.h"
+#include "memory_kokkos.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "force.h"
+#include "neighbor_kokkos.h"
 #include "pair.h"
-#include "comm.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "math_const.h"
-#include "atom_masks.h"
-#include "kokkos.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/compute_temp_kokkos.cpp b/src/KOKKOS/compute_temp_kokkos.cpp
index 0e7fe255402ea9dcf99cf8193608383880fc97dd..5e60d62be1cf3f0b14a26e9f4a4e4f21ab18ae19 100644
--- a/src/KOKKOS/compute_temp_kokkos.cpp
+++ b/src/KOKKOS/compute_temp_kokkos.cpp
@@ -12,16 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_kokkos.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom_kokkos.h"
-#include "update.h"
-#include "force.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "group.h"
 #include "error.h"
-#include "atom_masks.h"
+#include "force.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/dihedral_charmm_kokkos.cpp b/src/KOKKOS/dihedral_charmm_kokkos.cpp
index 0d8256f306ac778b188f0a0025b3ac0411ee6044..88b5e1344d8272617fc03d22789c76fe4a6c6a20 100644
--- a/src/KOKKOS/dihedral_charmm_kokkos.cpp
+++ b/src/KOKKOS/dihedral_charmm_kokkos.cpp
@@ -16,19 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_charmm_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
-#include "comm.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "atom_masks.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
+#include "kokkos.h"
 #include "math_const.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
-#include "kokkos.h"
+#include "neighbor_kokkos.h"
+#include "pair.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/dihedral_class2_kokkos.cpp b/src/KOKKOS/dihedral_class2_kokkos.cpp
index 371af44e9a8d4c6e2fcc306996762659f27111b2..156a13c2ecd81b0dd97f127f879eaf7627bc8677 100644
--- a/src/KOKKOS/dihedral_class2_kokkos.cpp
+++ b/src/KOKKOS/dihedral_class2_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_class2_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/dihedral_harmonic_kokkos.cpp b/src/KOKKOS/dihedral_harmonic_kokkos.cpp
index 408fa276e4a64235ea0d8eea55509a05032028dc..d4855b10c1c6807eda335b3a138bac4216504619 100644
--- a/src/KOKKOS/dihedral_harmonic_kokkos.cpp
+++ b/src/KOKKOS/dihedral_harmonic_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_harmonic_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/dihedral_opls_kokkos.cpp b/src/KOKKOS/dihedral_opls_kokkos.cpp
index 309d617f0ab3023a0060eca7695cf306c1bbe07f..42874936f932d81eac05d38afcf5383d7a6d26b4 100644
--- a/src/KOKKOS/dihedral_opls_kokkos.cpp
+++ b/src/KOKKOS/dihedral_opls_kokkos.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_opls_kokkos.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "neighbor_kokkos.h"
-#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neighbor_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/domain_kokkos.h b/src/KOKKOS/domain_kokkos.h
index eccc36a021ec5bc90a8ce3f838b2f9625c78b42b..3bfdeb708b7aebba720bbdcc51e339306d0d7d47 100644
--- a/src/KOKKOS/domain_kokkos.h
+++ b/src/KOKKOS/domain_kokkos.h
@@ -14,7 +14,7 @@
 #ifndef LMP_DOMAIN_KOKKOS_H
 #define LMP_DOMAIN_KOKKOS_H
 
-#include "domain.h"
+#include "domain.h"             // IWYU pragma: export
 #include "kokkos_type.h"
 #include "kokkos_few.h"
 
diff --git a/src/KOKKOS/fft3d_kokkos.cpp b/src/KOKKOS/fft3d_kokkos.cpp
index e49d780040b6bf34bedb286087918d94a0fa4c4a..ff95998e4ec7a98241e9a19c4c1c11995306ba24 100644
--- a/src/KOKKOS/fft3d_kokkos.cpp
+++ b/src/KOKKOS/fft3d_kokkos.cpp
@@ -14,16 +14,13 @@
 /* ----------------------------------------------------------------------
    Contributing authors: Stan Moore (SNL), Sam Mish (U.C. Davis)
 ------------------------------------------------------------------------- */
-
-#include <mpi.h>
-#include <stdio.h>
-#include <stdlib.h>
-#include <math.h>
 #include "fft3d_kokkos.h"
-#include "remap_kokkos.h"
+
 #include "error.h"
 #include "kokkos.h"
+#include "remap_kokkos.h"
 
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/fix_deform_kokkos.cpp b/src/KOKKOS/fix_deform_kokkos.cpp
index 05eb1c22f66a3af0545dacb94ad114732705a2b6..87d860b5ae8747c04bd68c0e4894225e7872d177 100644
--- a/src/KOKKOS/fix_deform_kokkos.cpp
+++ b/src/KOKKOS/fix_deform_kokkos.cpp
@@ -16,23 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_deform_kokkos.h"
-#include <cstring>
-#include <cstdlib>
-#include <cmath>
+
 #include "atom_kokkos.h"
-#include "update.h"
-#include "comm.h"
-#include "irregular.h"
+#include "atom_masks.h"
 #include "domain_kokkos.h"
-#include "lattice.h"
+#include "error.h"
 #include "force.h"
-#include "modify.h"
-#include "math_const.h"
-#include "kspace.h"
 #include "input.h"
+#include "irregular.h"
+#include "kspace.h"
+#include "math_const.h"
+#include "modify.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
-#include "atom_masks.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_gravity_kokkos.cpp b/src/KOKKOS/fix_gravity_kokkos.cpp
index 4f8b57365e72eb76805b55c81466ec1f1e96c66e..7d413a1d5797ffa2fc831b2e26f9dd4011c64f5a 100644
--- a/src/KOKKOS/fix_gravity_kokkos.cpp
+++ b/src/KOKKOS/fix_gravity_kokkos.cpp
@@ -12,13 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_gravity_kokkos.h"
+
+#include "atom_kokkos.h"
 #include "atom_masks.h"
-#include "modify.h"
+#include "atom_vec.h"
 #include "input.h"
-#include "variable.h"
+#include "modify.h"
 #include "update.h"
-#include "atom_kokkos.h"
-#include "atom_vec.h"
+#include "variable.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/fix_langevin_kokkos.cpp b/src/KOKKOS/fix_langevin_kokkos.cpp
index 44ae18f9a9bbd692aad90033b370c0b37eab0cf3..dadf9e4c8b3adf2b6468b9a4cc4d253ba0b25bac 100644
--- a/src/KOKKOS/fix_langevin_kokkos.cpp
+++ b/src/KOKKOS/fix_langevin_kokkos.cpp
@@ -12,21 +12,22 @@
    ------------------------------------------------------------------------- */
 
 #include "fix_langevin_kokkos.h"
-#include <cmath>
-#include "atom_masks.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
+#include "comm.h"
+#include "compute.h"
+#include "error.h"
 #include "force.h"
 #include "group.h"
-#include "update.h"
-#include "error.h"
+#include "input.h"
 #include "memory_kokkos.h"
-#include "compute.h"
-#include "comm.h"
 #include "modify.h"
-#include "input.h"
-#include "region.h"
+#include "update.h"
 #include "variable.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/KOKKOS/fix_minimize_kokkos.cpp b/src/KOKKOS/fix_minimize_kokkos.cpp
index e7b10dbb8eae2c90a0593fd590fbaf028eb73fe9..13b9cb02a735fdf753b56cb3f3c3b7c95b3d28ef 100644
--- a/src/KOKKOS/fix_minimize_kokkos.cpp
+++ b/src/KOKKOS/fix_minimize_kokkos.cpp
@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_minimize_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "domain.h"
 #include "memory_kokkos.h"
-#include "atom_masks.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_momentum_kokkos.cpp b/src/KOKKOS/fix_momentum_kokkos.cpp
index 9c9d6cb1cddf9de3efb15d648ee95f819b52042e..be486bf752c9c8aacafcdf778a83b3a80ec4aeba 100644
--- a/src/KOKKOS/fix_momentum_kokkos.cpp
+++ b/src/KOKKOS/fix_momentum_kokkos.cpp
@@ -12,17 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_momentum_kokkos.h"
-#include <cstdlib>
-#include <cstring>
+
 #include "atom_kokkos.h"
 #include "atom_masks.h"
-#include "domain.h"
 #include "domain_kokkos.h"
 #include "group.h"
 #include "error.h"
-#include "force.h"
 #include "kokkos_few.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/KOKKOS/fix_neigh_history_kokkos.cpp b/src/KOKKOS/fix_neigh_history_kokkos.cpp
index a43c5ef458bff9122741d7c4ad5786eb42bd8b3a..d1f3f6632766b5f9a31b27cb42edf59f7a1264c5 100644
--- a/src/KOKKOS/fix_neigh_history_kokkos.cpp
+++ b/src/KOKKOS/fix_neigh_history_kokkos.cpp
@@ -12,13 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_neigh_history_kokkos.h"
+
 #include "atom_kokkos.h"
 #include "error.h"
 #include "memory_kokkos.h"
+#include "modify.h"
 #include "neigh_list_kokkos.h"
 #include "pair_kokkos.h"
-#include "comm.h"
-#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/fix_nh_kokkos.cpp b/src/KOKKOS/fix_nh_kokkos.cpp
index 96e966371225f636ab1a021f6788b834b53d75a0..a2985502bb0e5c57ad904e98ec89a704a5e834b3 100644
--- a/src/KOKKOS/fix_nh_kokkos.cpp
+++ b/src/KOKKOS/fix_nh_kokkos.cpp
@@ -16,27 +16,24 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nh_kokkos.h"
-#include <cstring>
-#include <cstdlib>
-#include <cmath>
-#include "math_extra.h"
+
 #include "atom.h"
-#include "force.h"
-#include "group.h"
+#include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "irregular.h"
-#include "modify.h"
-#include "fix_deform.h"
 #include "compute.h"
-#include "kspace.h"
-#include "update.h"
-#include "respa.h"
 #include "domain_kokkos.h"
-#include "memory_kokkos.h"
 #include "error.h"
-#include "atom_masks.h"
-#include "atom_kokkos.h"
+#include "fix_deform.h"
+#include "force.h"
+#include "irregular.h"
+#include "kspace.h"
+#include "memory_kokkos.h"
+#include "neighbor.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_nph_kokkos.cpp b/src/KOKKOS/fix_nph_kokkos.cpp
index d667e29221f4fb0ee9048b8f6323994ae63fa10f..7efcb150bd00193330c244b66c1b3a3a5877ca44 100644
--- a/src/KOKKOS/fix_nph_kokkos.cpp
+++ b/src/KOKKOS/fix_nph_kokkos.cpp
@@ -12,10 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nph_kokkos.h"
-#include <cstring>
+
 #include "modify.h"
 #include "error.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/KOKKOS/fix_npt_kokkos.cpp b/src/KOKKOS/fix_npt_kokkos.cpp
index 47b3da4efe21f8760a1df2d8ae8e7e6425cb142e..5b73eee4d71e8f0660420dc1307c6d32976668d6 100644
--- a/src/KOKKOS/fix_npt_kokkos.cpp
+++ b/src/KOKKOS/fix_npt_kokkos.cpp
@@ -12,10 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_npt_kokkos.h"
-#include <cstring>
+
 #include "modify.h"
 #include "error.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/KOKKOS/fix_nve_kokkos.cpp b/src/KOKKOS/fix_nve_kokkos.cpp
index da0a326d5d3a14428f748bea323dadac4f32dd85..beabc5572728bbd78c97728a45548cd3ff571cb0 100644
--- a/src/KOKKOS/fix_nve_kokkos.cpp
+++ b/src/KOKKOS/fix_nve_kokkos.cpp
@@ -12,14 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_kokkos.h"
-#include <cstdio>
-#include <cstring>
-#include "atom_masks.h"
+
 #include "atom_kokkos.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
-#include "error.h"
+#include "atom_masks.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_nvt_kokkos.cpp b/src/KOKKOS/fix_nvt_kokkos.cpp
index 013095abc0321f483dceb4d802294b79267bdfef..6e6958261705150fe473ab05d3cc145547e89eb5 100644
--- a/src/KOKKOS/fix_nvt_kokkos.cpp
+++ b/src/KOKKOS/fix_nvt_kokkos.cpp
@@ -12,10 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvt_kokkos.h"
-#include <cstring>
+
+#include "error.h"
 #include "group.h"
 #include "modify.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_property_atom_kokkos.cpp b/src/KOKKOS/fix_property_atom_kokkos.cpp
index ff374b885f909de1bc163343fcfc80671bf3b5e5..185e7445b22afc8adbae2cde835c8e786aab6d1c 100644
--- a/src/KOKKOS/fix_property_atom_kokkos.cpp
+++ b/src/KOKKOS/fix_property_atom_kokkos.cpp
@@ -12,14 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_property_atom_kokkos.h"
-#include <cstdlib>
-#include <cstring>
+
 #include "atom_kokkos.h"
-#include "comm.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "update.h"
 #include "atom_masks.h"
+#include "error.h"
+#include "memory_kokkos.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_qeq_reax_kokkos.cpp b/src/KOKKOS/fix_qeq_reax_kokkos.cpp
index 8c007586a910049ca77576624eaca252f0bb559d..eac044da28bf15db65af63f492e05473bc5b8ebc 100644
--- a/src/KOKKOS/fix_qeq_reax_kokkos.cpp
+++ b/src/KOKKOS/fix_qeq_reax_kokkos.cpp
@@ -17,21 +17,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_reax_kokkos.h"
-#include <cmath>
-#include "kokkos.h"
+
 #include "atom.h"
-#include "atom_masks.h"
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "kokkos.h"
+#include "memory_kokkos.h"
 #include "neigh_list_kokkos.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "update.h"
-#include "integrate.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "pair_reaxc_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp b/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp
index 3a706ece83c1c26bfe4d99bd13b5f4b7f44d9837..f98ab0314cf6ba5d679614730dafe71062374842 100644
--- a/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp
+++ b/src/KOKKOS/fix_reaxc_bonds_kokkos.cpp
@@ -16,14 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_reaxc_bonds_kokkos.h"
+
 #include "atom.h"
-#include "pair_reaxc_kokkos.h"
+#include "atom_masks.h"
+#include "error.h"
 #include "force.h"
-#include "compute.h"
 #include "memory_kokkos.h"
-#include "error.h"
-#include "reaxc_defs.h"
-#include "atom_masks.h"
+#include "pair_reaxc_kokkos.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp
index 38968bdd3561b212a2b407b40388b402f88b23ae..18bc4225a70c640cb70d9b37fbf7b46ea436fba9 100644
--- a/src/KOKKOS/fix_rx_kokkos.cpp
+++ b/src/KOKKOS/fix_rx_kokkos.cpp
@@ -27,7 +27,7 @@
 #include "comm.h"
 #include "domain.h"
 #include "kokkos.h"
-#include "utils.h"
+
 
 #include <cfloat> // DBL_EPSILON
 
diff --git a/src/KOKKOS/fix_setforce_kokkos.cpp b/src/KOKKOS/fix_setforce_kokkos.cpp
index da516f5ba20c143fe1b177d79b46cea669cc87cd..a11e8b4bd4d32d642dd15071b32e1ce643d30d35 100644
--- a/src/KOKKOS/fix_setforce_kokkos.cpp
+++ b/src/KOKKOS/fix_setforce_kokkos.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_setforce_kokkos.h"
-#include <cstring>
+
 #include "atom_kokkos.h"
 #include "update.h"
 #include "modify.h"
@@ -24,7 +24,8 @@
 #include "error.h"
 #include "atom_masks.h"
 #include "kokkos_base.h"
-#include "region.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp
index 75964f48296914e90f33f197b3e021aae5795120..9be4321ff2dc0f8f70f4bf56fed6e666780d71d0 100644
--- a/src/KOKKOS/fix_shardlow_kokkos.cpp
+++ b/src/KOKKOS/fix_shardlow_kokkos.cpp
@@ -35,7 +35,7 @@
 
 #include "fix_shardlow_kokkos.h"
 #include <cmath>
-#include <cstdlib>
+
 #include "atom.h"
 #include "atom_masks.h"
 #include "atom_kokkos.h"
diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.cpp b/src/KOKKOS/fix_wall_reflect_kokkos.cpp
index a5bd6e6e6c1cb7128ef7792ec966063e483389cf..046c97c12bd3657950701f5b99e2a1dfc9e61b2d 100644
--- a/src/KOKKOS/fix_wall_reflect_kokkos.cpp
+++ b/src/KOKKOS/fix_wall_reflect_kokkos.cpp
@@ -12,20 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_reflect_kokkos.h"
-#include <cstdlib>
-#include <cstring>
+
 #include "atom_kokkos.h"
-#include "comm.h"
-#include "update.h"
-#include "modify.h"
-#include "domain.h"
-#include "lattice.h"
+#include "atom_masks.h"
 #include "input.h"
+#include "modify.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
-#include "force.h"
-#include "atom_masks.h"
 
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/KOKKOS/gridcomm_kokkos.cpp b/src/KOKKOS/gridcomm_kokkos.cpp
index 5f32c5b4aec3ea7de7ce02b152768272a7cd4192..909e3c8544c7ea1fac299e7e5526c0379e194c62 100644
--- a/src/KOKKOS/gridcomm_kokkos.cpp
+++ b/src/KOKKOS/gridcomm_kokkos.cpp
@@ -12,14 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "gridcomm_kokkos.h"
-#include <mpi.h>
+
 #include "comm.h"
-#include "kspace.h"
 #include "irregular.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "kokkos_base_fft.h"
 #include "kokkos.h"
+#include "kokkos_base_fft.h"
+#include "kspace.h"
+#include "memory_kokkos.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/kokkos.cpp b/src/KOKKOS/kokkos.cpp
index b5e617452884c11ec6409749899c97cc77bf202f..79fd0685b079c5cd901133d90b7bc79dc84f0529 100644
--- a/src/KOKKOS/kokkos.cpp
+++ b/src/KOKKOS/kokkos.cpp
@@ -12,19 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "kokkos.h"
-#include <mpi.h>
-#include <cstdio>
+
+#include "error.h"
+#include "force.h"
+#include "memory_kokkos.h"
+#include "neigh_list_kokkos.h"
+#include "neighbor_kokkos.h"
+
 #include <cstring>
-#include <cstdlib>
 #include <cctype>
 #include <csignal>
 #include <unistd.h>
-#include "lammps.h"
-#include "force.h"
-#include "neighbor_kokkos.h"
-#include "neigh_list_kokkos.h"
-#include "error.h"
-#include "memory_kokkos.h"
 
 #ifdef KOKKOS_ENABLE_CUDA
 
diff --git a/src/KOKKOS/memory_kokkos.h b/src/KOKKOS/memory_kokkos.h
index 39d30ac78540c66724d8a00f0a1a9eff9687416a..83e8b9ec7cd02faff17d9fea767df9eeaf7b79e7 100644
--- a/src/KOKKOS/memory_kokkos.h
+++ b/src/KOKKOS/memory_kokkos.h
@@ -14,7 +14,7 @@
 #ifndef LMP_MEMORY_KOKKOS_H
 #define LMP_MEMORY_KOKKOS_H
 
-#include "memory.h"
+#include "memory.h"             // IWYU pragma: export
 #include "kokkos_type.h"
 
 namespace LAMMPS_NS {
diff --git a/src/KOKKOS/min_kokkos.cpp b/src/KOKKOS/min_kokkos.cpp
index e5f22411f60fb2f4affee20e0df3f49f80101eef..032538fe601a8f63ce197582af0232b88f5c9a49 100644
--- a/src/KOKKOS/min_kokkos.cpp
+++ b/src/KOKKOS/min_kokkos.cpp
@@ -16,32 +16,31 @@
 ------------------------------------------------------------------------- */
 
 #include "min_kokkos.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
+#include "angle.h"
 #include "atom_kokkos.h"
-#include "atom_vec.h"
-#include "domain.h"
+#include "atom_masks.h"
+#include "bond.h"
 #include "comm.h"
-#include "update.h"
-#include "modify.h"
-#include "fix_minimize_kokkos.h"
 #include "compute.h"
-#include "neighbor.h"
-#include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "fix_minimize_kokkos.h"
+#include "force.h"
 #include "improper.h"
+#include "kokkos.h"
 #include "kspace.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "kokkos.h"
-#include "atom_masks.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/min_linesearch_kokkos.cpp b/src/KOKKOS/min_linesearch_kokkos.cpp
index cb07c7db86e805241a75e455b84ff349977ed717..4306a5bd3b4bac5cb162eb651b0ea9c9dfb5c434 100644
--- a/src/KOKKOS/min_linesearch_kokkos.cpp
+++ b/src/KOKKOS/min_linesearch_kokkos.cpp
@@ -16,16 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "min_linesearch_kokkos.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "atom_kokkos.h"
-#include "modify.h"
+#include "atom_masks.h"
+#include "error.h"
 #include "fix_minimize_kokkos.h"
-#include "pair.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
-#include "error.h"
-#include "atom_masks.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/nbin_kokkos.cpp b/src/KOKKOS/nbin_kokkos.cpp
index 89a69dc6331d2314cc8af699d06f32a2d9803076..158a87796ee46896de0a3c67f0af22b9c9a5a37d 100644
--- a/src/KOKKOS/nbin_kokkos.cpp
+++ b/src/KOKKOS/nbin_kokkos.cpp
@@ -12,14 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "nbin_kokkos.h"
-#include "neighbor.h"
+
 #include "atom_kokkos.h"
-#include "group.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
 #include "update.h"
-#include "error.h"
-#include "atom_masks.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/neigh_bond_kokkos.cpp b/src/KOKKOS/neigh_bond_kokkos.cpp
index bf9234e17c1fe61be7f5aecfe27b2dc36572af16..021dcc7a1c1ae6769344ddcff1e339f97365d9c3 100644
--- a/src/KOKKOS/neigh_bond_kokkos.cpp
+++ b/src/KOKKOS/neigh_bond_kokkos.cpp
@@ -16,22 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "neigh_bond_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "atom_vec.h"
-#include "molecule.h"
-#include "force.h"
-#include "update.h"
 #include "domain_kokkos.h"
-#include "output.h"
-#include "thermo.h"
-#include "memory_kokkos.h"
 #include "error.h"
-#include "modify.h"
 #include "fix.h"
-#include <cstring>
-#include "atom_masks.h"
-#include "domain.h"
+#include "force.h"
+#include "memory_kokkos.h"
+#include "modify.h"
+#include "output.h"
+#include "thermo.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
 using namespace LAMMPS_NS;
 
 #define BONDDELTA 10000
diff --git a/src/KOKKOS/neigh_list_kokkos.cpp b/src/KOKKOS/neigh_list_kokkos.cpp
index 14591f82461c721591d69aa915bec7d22c895156..7db78e38d24255fa98e90003ec1c7b9f4f6200b6 100644
--- a/src/KOKKOS/neigh_list_kokkos.cpp
+++ b/src/KOKKOS/neigh_list_kokkos.cpp
@@ -12,8 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "neigh_list_kokkos.h"
-#include "atom.h"
-#include "memory_kokkos.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/neigh_list_kokkos.h b/src/KOKKOS/neigh_list_kokkos.h
index edd775f7f960b82082b7baabcf31082113d191e2..8ae873036b895cde1de9552c469d827a6b7cee38 100644
--- a/src/KOKKOS/neigh_list_kokkos.h
+++ b/src/KOKKOS/neigh_list_kokkos.h
@@ -15,7 +15,8 @@
 #define LMP_NEIGH_LIST_KOKKOS_H
 
 #include "pointers.h"
-#include "neigh_list.h"
+
+#include "neigh_list.h"         // IWYU pragma: export
 #include "kokkos_type.h"
 
 namespace LAMMPS_NS {
diff --git a/src/KOKKOS/neighbor_kokkos.cpp b/src/KOKKOS/neighbor_kokkos.cpp
index 4d0cf7ea3a06ca24c6f2baf245ee59a9142ed18f..b21a7cb1ee7e87943bce9aa885ab72b9714bfa98 100644
--- a/src/KOKKOS/neighbor_kokkos.cpp
+++ b/src/KOKKOS/neighbor_kokkos.cpp
@@ -12,25 +12,26 @@
 ------------------------------------------------------------------------- */
 
 #include "neighbor_kokkos.h"
+
+#include "angle.h"
 #include "atom_kokkos.h"
-#include "pair.h"
-#include "fix.h"
-#include "neigh_request.h"
-#include "memory_kokkos.h"
-#include "update.h"
 #include "atom_masks.h"
-#include "error.h"
-#include "kokkos.h"
-#include "force.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
 #include "improper.h"
+#include "kokkos.h"
+#include "memory_kokkos.h"
+#include "neigh_request.h"
+#include "pair.h"
 #include "style_nbin.h"
-#include "style_nstencil.h"
 #include "style_npair.h"
+#include "style_nstencil.h"
 #include "style_ntopo.h"
-#include "comm.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/neighbor_kokkos.h b/src/KOKKOS/neighbor_kokkos.h
index 3829502c0d967117c350a5ac9eee22014cf7dcd1..304fe8f1da22958b6092e09e277f0de283e151c8 100644
--- a/src/KOKKOS/neighbor_kokkos.h
+++ b/src/KOKKOS/neighbor_kokkos.h
@@ -14,11 +14,10 @@
 #ifndef LMP_NEIGHBOR_KOKKOS_H
 #define LMP_NEIGHBOR_KOKKOS_H
 
-#include "neighbor.h"
+#include "neighbor.h"           // IWYU pragma: export
 #include "neigh_list_kokkos.h"
 #include "neigh_bond_kokkos.h"
 #include "kokkos_type.h"
-#include <cmath>
 
 namespace LAMMPS_NS {
 
diff --git a/src/KOKKOS/npair_halffull_kokkos.cpp b/src/KOKKOS/npair_halffull_kokkos.cpp
index b1090109359aa9835302d63c343620c6742519a4..ca9c14b29d1ec3305de524e7133a8d8b7942e71a 100644
--- a/src/KOKKOS/npair_halffull_kokkos.cpp
+++ b/src/KOKKOS/npair_halffull_kokkos.cpp
@@ -12,15 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_halffull_kokkos.h"
-#include "neighbor.h"
-#include "neigh_list_kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "atom_vec.h"
-#include "molecule.h"
 #include "domain.h"
-#include "my_page.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neigh_list_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/npair_skip_kokkos.cpp b/src/KOKKOS/npair_skip_kokkos.cpp
index 13080a9580060307c834d57b893d77a9bace9490..81f78844d317a073d7abee0258c2c25c3ce6713a 100644
--- a/src/KOKKOS/npair_skip_kokkos.cpp
+++ b/src/KOKKOS/npair_skip_kokkos.cpp
@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_kokkos.h"
-#include "neigh_list_kokkos.h"
+
 #include "atom_kokkos.h"
-#include "atom_vec.h"
-#include "error.h"
 #include "atom_masks.h"
+#include "atom_vec.h"
+#include "neigh_list_kokkos.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp
index 28cf65c8d8fd211e91ce0b8643337c52ec292e6a..280e47b77166b9dcdc50b1726a579467c2f3970c 100644
--- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp
@@ -29,7 +29,7 @@
 #include "memory_kokkos.h"
 #include "error.h"
 #include "atom_masks.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp
index da49414892926a5bae4608de7b62f7fedcf7fcdf..a4828c00aa0f245a95d7c45c5980703a265ab7c3 100644
--- a/src/KOKKOS/pair_eam_fs_kokkos.cpp
+++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp
@@ -29,7 +29,7 @@
 #include "memory_kokkos.h"
 #include "error.h"
 #include "atom_masks.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.cpp b/src/KOKKOS/pair_exp6_rx_kokkos.cpp
index 2e2c3ef04e89f99c2e8e5095f725913653bea469..035bf87cecda8a1d1b7c6955d32fb66f41f25a56 100644
--- a/src/KOKKOS/pair_exp6_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_exp6_rx_kokkos.cpp
@@ -17,7 +17,7 @@
 
 #include "pair_exp6_rx_kokkos.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -32,7 +32,7 @@
 #include "neigh_request.h"
 #include "atom_kokkos.h"
 #include "kokkos.h"
-#include "utils.h"
+
 
 #ifdef _OPENMP
 #include <omp.h>
diff --git a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp
index 1f2ad404bb49f9838172291859b9cc90df6eedbd..9c75f3abe8b9ed143e800deeb304ca7866f29bda 100644
--- a/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp
+++ b/src/KOKKOS/pair_hybrid_overlay_kokkos.cpp
@@ -17,7 +17,7 @@
 #include "atom.h"
 #include "force.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KOKKOS/pair_kokkos.h b/src/KOKKOS/pair_kokkos.h
index ffafdf7f17f0aed75b62dfbfba1dbb1dd465923d..396a5f2d4872341f7084471ea9df39ea11e1f4bb 100644
--- a/src/KOKKOS/pair_kokkos.h
+++ b/src/KOKKOS/pair_kokkos.h
@@ -19,7 +19,7 @@
 #define LMP_PAIR_KOKKOS_H
 
 #include "Kokkos_Macros.hpp"
-#include "pair.h"
+#include "pair.h"               // IWYU pragma: export
 #include "neighbor_kokkos.h"
 #include "neigh_list_kokkos.h"
 #include "Kokkos_Vectorization.hpp"
diff --git a/src/KOKKOS/pair_reaxc_kokkos.cpp b/src/KOKKOS/pair_reaxc_kokkos.cpp
index d0fe11285a6ac2c557c4431ec47156c853674da0..3a7359df93feaa357fcf762de3a9c3bfe6f886db 100644
--- a/src/KOKKOS/pair_reaxc_kokkos.cpp
+++ b/src/KOKKOS/pair_reaxc_kokkos.cpp
@@ -16,25 +16,23 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_reaxc_kokkos.h"
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "kokkos.h"
+
 #include "atom_kokkos.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "neigh_list_kokkos.h"
+#include "kokkos.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "memory_kokkos.h"
-#include "error.h"
-#include "atom_masks.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "reaxc_defs.h"
 #include "reaxc_lookup.h"
 #include "reaxc_tool_box.h"
 
+#include <cmath>
+
 
 #define TEAMSIZE 128
 
diff --git a/src/KOKKOS/pair_table_rx_kokkos.cpp b/src/KOKKOS/pair_table_rx_kokkos.cpp
index 26aa4373ccaa88310fb6b50e36937ef7a0d102c4..09e38e638707bbe552e54f17c4b8950b6b91db0a 100644
--- a/src/KOKKOS/pair_table_rx_kokkos.cpp
+++ b/src/KOKKOS/pair_table_rx_kokkos.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_table_rx_kokkos.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "kokkos.h"
@@ -33,7 +33,7 @@
 #include "kokkos_few.h"
 #include "kokkos.h"
 #include "modify.h"
-#include "utils.h"
+
 #include <cassert>
 
 using namespace LAMMPS_NS;
diff --git a/src/KOKKOS/pair_vashishta_kokkos.cpp b/src/KOKKOS/pair_vashishta_kokkos.cpp
index f5489c0e0c6c463ea870ce242347708205393b0f..b5dd43f12aa3193fd07a1c6c26687d11233d9357 100644
--- a/src/KOKKOS/pair_vashishta_kokkos.cpp
+++ b/src/KOKKOS/pair_vashishta_kokkos.cpp
@@ -16,20 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_vashishta_kokkos.h"
-#include <cmath>
-#include <cstring>
-#include "kokkos.h"
-#include "pair_kokkos.h"
+
 #include "atom_kokkos.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "force.h"
+#include "atom_masks.h"
 #include "comm.h"
-#include "memory_kokkos.h"
-#include "neigh_list_kokkos.h"
 #include "error.h"
-#include "atom_masks.h"
+#include "force.h"
+#include "kokkos.h"
 #include "math_const.h"
+#include "memory_kokkos.h"
+#include "neigh_list_kokkos.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "pair_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/pppm_kokkos.cpp b/src/KOKKOS/pppm_kokkos.cpp
index 2eea5279470536e208e8246eeefbafe7ab84202f..4a795833fbf6ffa436df659a4798560ab1acf448 100644
--- a/src/KOKKOS/pppm_kokkos.cpp
+++ b/src/KOKKOS/pppm_kokkos.cpp
@@ -16,26 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_kokkos.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "atom_kokkos.h"
-#include "comm.h"
-#include "gridcomm_kokkos.h"
-#include "neighbor.h"
-#include "force.h"
-#include "pair.h"
+#include "atom_masks.h"
 #include "domain.h"
-#include "fft3d_kokkos.h"
-#include "remap_kokkos.h"
-#include "memory_kokkos.h"
 #include "error.h"
-#include "atom_masks.h"
+#include "fft3d_kokkos.h"
+#include "force.h"
+#include "gridcomm_kokkos.h"
 #include "kokkos.h"
-#include "utils.h"
-#include "fmt/format.h"
-
 #include "math_const.h"
 #include "math_special_kokkos.h"
+#include "memory_kokkos.h"
+#include "pair.h"
+#include "remap_kokkos.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KOKKOS/remap_kokkos.cpp b/src/KOKKOS/remap_kokkos.cpp
index d496db05e2510cb0509191efbdb2cc9eb6b6eaf7..af87ba3644e1f49c73076f50063688dc5d7efc87 100644
--- a/src/KOKKOS/remap_kokkos.cpp
+++ b/src/KOKKOS/remap_kokkos.cpp
@@ -11,12 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <stdio.h>
-#include <stdlib.h>
 #include "remap_kokkos.h"
-#include "pack_kokkos.h"
+
 #include "error.h"
+#include "pack_kokkos.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/ewald.cpp b/src/KSPACE/ewald.cpp
index 4aa95318db8ca4d96eb310f59585c55b4fe267b4..6133df398f9abd15b1c94a1453c29a1cdec8defb 100644
--- a/src/KSPACE/ewald.cpp
+++ b/src/KSPACE/ewald.cpp
@@ -19,19 +19,17 @@
 ------------------------------------------------------------------------- */
 
 #include "ewald.h"
-#include <mpi.h>
-#include <cmath>
-#include <string>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "pair.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/ewald_dipole.cpp b/src/KSPACE/ewald_dipole.cpp
index 1921b8dc558f77833ec39722f1a33ea09f7bb57d..33d21b416e7f571dcc27db03da95ef2c267a846c 100644
--- a/src/KSPACE/ewald_dipole.cpp
+++ b/src/KSPACE/ewald_dipole.cpp
@@ -16,22 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "ewald_dipole.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "math_const.h"
 #include "math_special.h"
 #include "memory.h"
-#include "error.h"
+#include "pair.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/ewald_dipole_spin.cpp b/src/KSPACE/ewald_dipole_spin.cpp
index bdbb737de8c0a630c7885ad424abb5120ee84081..94cacd3a753d12431ee1a09a8ef586b51cd11b6a 100644
--- a/src/KSPACE/ewald_dipole_spin.cpp
+++ b/src/KSPACE/ewald_dipole_spin.cpp
@@ -16,21 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "ewald_dipole_spin.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
+#include "pair.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/ewald_disp.cpp b/src/KSPACE/ewald_disp.cpp
index b616b2ae5d692fce3f9d2c9ce7cbbbbdf424e047..546ac472c907b7fd7d8defa17519ab5dba3015a1 100644
--- a/src/KSPACE/ewald_disp.cpp
+++ b/src/KSPACE/ewald_disp.cpp
@@ -16,23 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "ewald_disp.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cmath>
-#include "math_vector.h"
-#include "math_const.h"
-#include "math_special.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
+#include "force.h"
+#include "math_const.h"
+#include "math_special.h"
+#include "math_vector.h"
+#include "memory.h"
+#include "pair.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/fft3d_wrap.cpp b/src/KSPACE/fft3d_wrap.cpp
index 507b23d27d9ca7fd1ec83431dfeda6e82f70bbb8..d0e3a2b50c62c6288255582f29ca2a3cf82c45cf 100644
--- a/src/KSPACE/fft3d_wrap.cpp
+++ b/src/KSPACE/fft3d_wrap.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fft3d_wrap.h"
-#include <mpi.h>
+
 #include "error.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp
index 45c8a359711f39ae1fa877698f0d0341ece1db8d..c205f9de05fc82710392a5790bcf477e4d57bcc1 100644
--- a/src/KSPACE/fix_tune_kspace.cpp
+++ b/src/KSPACE/fix_tune_kspace.cpp
@@ -16,24 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tune_kspace.h"
-#include <cmath>
-#include <cstring>
-#include <limits>
-#include <string>
+
 #include "comm.h"
-#include "update.h"
+#include "compute.h"
+#include "error.h"
 #include "force.h"
 #include "info.h"
 #include "kspace.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "pair.h"
-#include "error.h"
-#include "memory.h"
 #include "timer.h"
-#include "neighbor.h"
-#include "modify.h"
-#include "compute.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
+#include <limits>
 
 #define SWAP(a,b) {temp=(a);(a)=(b);(b)=temp;}
 #define SIGN(a,b) ((b) >= 0.0 ? fabs(a) : -fabs(a))
diff --git a/src/KSPACE/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h
index 339f79626f93bfb47d0bae4e828b3b0ca83d323d..3e4db40344b30117996922b22bfbcca1e8ec570c 100644
--- a/src/KSPACE/fix_tune_kspace.h
+++ b/src/KSPACE/fix_tune_kspace.h
@@ -21,7 +21,7 @@ FixStyle(tune/kspace,FixTuneKspace)
 #define LMP_FIX_TUNE_KSPACE_H
 
 #include "fix.h"
-#include <string>
+
 
 namespace LAMMPS_NS {
 
diff --git a/src/KSPACE/gridcomm.cpp b/src/KSPACE/gridcomm.cpp
index 4024670b9ff0571bf3a82297991bcdbe24cc6542..0f899d31cf693acbf16203b3f4ccc761fb53c969 100644
--- a/src/KSPACE/gridcomm.cpp
+++ b/src/KSPACE/gridcomm.cpp
@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "gridcomm.h"
-#include <mpi.h>
+
 #include "comm.h"
-#include "kspace.h"
+#include "error.h"
 #include "irregular.h"
+#include "kspace.h"
 #include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/msm.cpp b/src/KSPACE/msm.cpp
index 00bdac53db99a45b746c92a4d1fd32c0394b993d..d0f4d38686a07ea65c3688ffe1d624e92709ce98 100644
--- a/src/KSPACE/msm.cpp
+++ b/src/KSPACE/msm.cpp
@@ -16,22 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "msm.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "gridcomm.h"
+#include "math_const.h"
+#include "memory.h"
 #include "neighbor.h"
-#include "force.h"
 #include "pair.h"
-#include "domain.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
 
-#include "math_const.h"
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp
index 4742e4c48c2b0b80124170528f6d4357468b513c..a05a6a282b97cbfd9e06899918312b051da888d0 100644
--- a/src/KSPACE/pair_born_coul_long.cpp
+++ b/src/KSPACE/pair_born_coul_long.cpp
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp
index f589dfaa90aa24e1256f93bfd54b31203577f59b..8d15a6480aac75e820594203db74c5f8e5bf68c5 100644
--- a/src/KSPACE/pair_buck_coul_long.cpp
+++ b/src/KSPACE/pair_buck_coul_long.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -24,7 +24,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp
index 3552e8bb86588cb19e8846f18a3dfe2d94730ccf..a845ddd1d2c75c2cdc3baaacf8d862f31ecafe82 100644
--- a/src/KSPACE/pair_buck_long_coul_long.cpp
+++ b/src/KSPACE/pair_buck_long_coul_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck_long_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_vector.h"
@@ -31,7 +31,7 @@
 #include "respa.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp
index 60187ce90104f7cc2777442f75ce6ffec0fa3000..2520da2654288a2d98eccb5faaffbf13591b9d72 100644
--- a/src/KSPACE/pair_coul_long.cpp
+++ b/src/KSPACE/pair_coul_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp
index ff52720a08f3ac8cf296349ed6c42e37b0372d72..261e93fbc9288ca8063218f0b2b1c170d83cee15 100644
--- a/src/KSPACE/pair_lj_charmm_coul_long.cpp
+++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp
@@ -29,7 +29,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
index b10cdf2b08e93fe056aff228d67867b2a82bb4f7..9df9862c117a8c20f32399cd98ec98ba9e08369c 100644
--- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
+++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
@@ -33,7 +33,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp
index ef25055a76a9c8a8d82b21bc077223c3f987e909..7fd8a72559ce20bd86f6d7671793c21856696997 100644
--- a/src/KSPACE/pair_lj_cut_coul_long.cpp
+++ b/src/KSPACE/pair_lj_cut_coul_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.cpp b/src/KSPACE/pair_lj_cut_tip4p_long.cpp
index 426ec00e55c9b92f0b368e1f0030d898affbcddf..a62c1bd55b2f9a95e6a21fe950370dcf7a55a093 100644
--- a/src/KSPACE/pair_lj_cut_tip4p_long.cpp
+++ b/src/KSPACE/pair_lj_cut_tip4p_long.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_tip4p_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "angle.h"
@@ -30,7 +30,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp
index 7b7a065e2220347fbf6ad29cb7d371882926a376..b6727c2c992931fb92416aabce23fcf8e31af8dd 100644
--- a/src/KSPACE/pair_lj_long_coul_long.cpp
+++ b/src/KSPACE/pair_lj_long_coul_long.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_long_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_vector.h"
@@ -33,8 +33,8 @@
 #include "respa.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp
index c71fee8206700614705114200d7e58f070b4980e..8f17bda0086574fda1836b674078a71ba1971149 100644
--- a/src/KSPACE/pair_lj_long_tip4p_long.cpp
+++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_long_tip4p_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "angle.h"
@@ -30,7 +30,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pair_tip4p_long.cpp b/src/KSPACE/pair_tip4p_long.cpp
index ee7d4fed1b5c91db70e566ad3b4c6bcb5277ad39..54973c69c2b4845efc6a5e174d1aa27f0145f292 100644
--- a/src/KSPACE/pair_tip4p_long.cpp
+++ b/src/KSPACE/pair_tip4p_long.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tip4p_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "angle.h"
@@ -30,7 +30,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp
index 9ce8ded7ddf20859c1ed2722e9ba217c84d5a3f1..41ffec4f3b0c967381d06f6d494ac090e72dd3cc 100644
--- a/src/KSPACE/pppm.cpp
+++ b/src/KSPACE/pppm.cpp
@@ -19,28 +19,25 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cmath>
+
+#include "angle.h"
 #include "atom.h"
+#include "bond.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "fft3d_wrap.h"
+#include "force.h"
 #include "gridcomm.h"
+#include "math_const.h"
+#include "math_special.h"
+#include "memory.h"
 #include "neighbor.h"
-#include "force.h"
 #include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "domain.h"
-#include "fft3d_wrap.h"
 #include "remap_wrap.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
 
-#include "math_const.h"
-#include "math_special.h"
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pppm_cg.cpp b/src/KSPACE/pppm_cg.cpp
index fa5235d6eb99edf02c1f7b7e367663bea5fb4c28..b319014c7814fd35392a177668c38dfa33266680 100644
--- a/src/KSPACE/pppm_cg.cpp
+++ b/src/KSPACE/pppm_cg.cpp
@@ -16,20 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_cg.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "gridcomm.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
-#include "neighbor.h"
-#include "memory.h"
+#include "gridcomm.h"
 #include "math_const.h"
+#include "memory.h"
+#include "neighbor.h"
 #include "remap.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pppm_dipole.cpp b/src/KSPACE/pppm_dipole.cpp
index 1a87c81beebae4d981a29831c73406bb6f2be8a7..1b7d3253268ff2f79a02695c8799c7e718214a08 100644
--- a/src/KSPACE/pppm_dipole.cpp
+++ b/src/KSPACE/pppm_dipole.cpp
@@ -16,26 +16,23 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_dipole.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
-#include "gridcomm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
+#include "error.h"
 #include "fft3d_wrap.h"
-#include "remap_wrap.h"
+#include "force.h"
+#include "gridcomm.h"
+#include "math_const.h"
+#include "math_special.h"
 #include "memory.h"
-#include "error.h"
+#include "pair.h"
+#include "remap_wrap.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
 
-#include "math_const.h"
-#include "math_special.h"
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pppm_dipole_spin.cpp b/src/KSPACE/pppm_dipole_spin.cpp
index 4e33c117938733ae2ae968b10f7f5d74311e5d48..595c257331a4e7b784f6497884efa53874ae880d 100644
--- a/src/KSPACE/pppm_dipole_spin.cpp
+++ b/src/KSPACE/pppm_dipole_spin.cpp
@@ -16,22 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_dipole_spin.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "comm.h"
-#include "gridcomm.h"
-#include "force.h"
-#include "pair.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
+#include "force.h"
+#include "gridcomm.h"
+#include "math_const.h"
+#include "memory.h"
+#include "pair.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
 
-#include "math_const.h"
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/pppm_disp.cpp b/src/KSPACE/pppm_disp.cpp
index fba3f279383a114357d69a2589711756b3bf4626..a484751a8164c521bf3e62b8da8cd56b3f448cea 100644
--- a/src/KSPACE/pppm_disp.cpp
+++ b/src/KSPACE/pppm_disp.cpp
@@ -17,26 +17,24 @@
 ------------------------------------------------------------------------- */
 
 #include "pppm_disp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
-#include <string>
-#include "math_const.h"
+
+#include "angle.h"
 #include "atom.h"
+#include "bond.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "fft3d_wrap.h"
+#include "force.h"
 #include "gridcomm.h"
+#include "math_const.h"
+#include "memory.h"
 #include "neighbor.h"
-#include "force.h"
 #include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "domain.h"
-#include "fft3d_wrap.h"
 #include "remap_wrap.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/KSPACE/remap_wrap.cpp b/src/KSPACE/remap_wrap.cpp
index 7929cd053c7dd81943739b8ffdb1e497a2636c7d..4aaaa1329ed8396c55fbce4ccbf2b0b8c60368ee 100644
--- a/src/KSPACE/remap_wrap.cpp
+++ b/src/KSPACE/remap_wrap.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "remap_wrap.h"
-#include <mpi.h>
+
 #include "error.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/MANYBODY/fix_qeq_comb.cpp b/src/MANYBODY/fix_qeq_comb.cpp
index b8bbba73dabe5abf45ea027ceb55f4613fa548a8..54169d08d71c92677429e07a9848d3bdf15693c4 100644
--- a/src/MANYBODY/fix_qeq_comb.cpp
+++ b/src/MANYBODY/fix_qeq_comb.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_comb.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "pair_comb.h"
@@ -30,8 +30,8 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp
index 74fd03e080d4731f2ef1f91163f01208065f7edf..ff30ac7b1e9822f664ed104a6894979304af847a 100644
--- a/src/MANYBODY/pair_adp.cpp
+++ b/src/MANYBODY/pair_adp.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_adp.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -28,7 +28,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp
index 6d783545f7e4d3827535cb7480f3c3c380da8b27..7ab2eaa27b1ef5d948f953e41cdca068fcdf4054 100644
--- a/src/MANYBODY/pair_airebo.cpp
+++ b/src/MANYBODY/pair_airebo.cpp
@@ -21,23 +21,23 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_airebo.h"
-#include <cmath>
-#include <cstring>
-#include <mpi.h>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "force.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "my_page.h"
+#include "error.h"
+#include "force.h"
 #include "math_special.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "my_page.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
-#include "fmt/format.h"
+#include "text_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/MANYBODY/pair_atm.cpp b/src/MANYBODY/pair_atm.cpp
index 60905fd2ffd9fc85b7ad01abb150518176cc7b8b..2a69e70b811f9a4870d0bf1e715c7db4308bf585 100644
--- a/src/MANYBODY/pair_atm.cpp
+++ b/src/MANYBODY/pair_atm.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_atm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "citeme.h"
@@ -27,7 +27,7 @@
 #include "neigh_list.h"
 #include "neigh_request.h"
 #include "neighbor.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp
index 5b080c9f0e6311f5c1f0fa0be294e5fef53bd6ca..e7c2f64672b11174c0e63a44c9235352ce7b3a25 100644
--- a/src/MANYBODY/pair_bop.cpp
+++ b/src/MANYBODY/pair_bop.cpp
@@ -33,22 +33,21 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_bop.h"
-#include <cmath>
-#include <cstring>
-#include <cctype>
-#include <mpi.h>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "force.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "force.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
-#include "fmt/format.h"
+#include "text_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp
index 6b8d4e428e0be0b8b23e5a9cd4fccd14dabd7358..a27aaef4ab95991523127d646a4f1d756b0bde94 100644
--- a/src/MANYBODY/pair_comb.cpp
+++ b/src/MANYBODY/pair_comb.cpp
@@ -19,9 +19,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_comb.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -34,7 +34,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp
index 385e3ca35db17946fbae877f9db51fdc31c56eef..265d30c6f71df82389a57f01e03ca45df5eb0154 100644
--- a/src/MANYBODY/pair_comb3.cpp
+++ b/src/MANYBODY/pair_comb3.cpp
@@ -18,25 +18,24 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_comb3.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "my_page.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "group.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "my_page.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
-#include "fmt/format.h"
+#include "text_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index 159ba55a29e597e02c573d11e7c6dd45458613fb..999384ea2f5d6d4c7391164f742b474f04ec63aa 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_eam.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -28,7 +28,7 @@
 #include "memory.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MANYBODY/pair_eam_alloy.cpp b/src/MANYBODY/pair_eam_alloy.cpp
index 3e33d40ee47cab9ea8c9b4542177594fb2d317cd..d30f46aa3620bf3227aa61608469cabe984253aa 100644
--- a/src/MANYBODY/pair_eam_alloy.cpp
+++ b/src/MANYBODY/pair_eam_alloy.cpp
@@ -16,16 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_eam_alloy.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp
index 4f5041090f1c73a9aa2b2570017bd0eb86698da1..dc36c73272e8144bc6eac5036e71820adc056666 100644
--- a/src/MANYBODY/pair_eam_cd.cpp
+++ b/src/MANYBODY/pair_eam_cd.cpp
@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_eam_cd.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -29,8 +29,8 @@
 #include "memory.h"
 #include "error.h"
 #include "tokenizer.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_eam_fs.cpp b/src/MANYBODY/pair_eam_fs.cpp
index fbe6bee529ef0e179cceaf2cf441f650539bd481..dd45d12da336924286f1a873b3f886cf56343c8f 100644
--- a/src/MANYBODY/pair_eam_fs.cpp
+++ b/src/MANYBODY/pair_eam_fs.cpp
@@ -16,16 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_eam_fs.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp
index cdd928788b69858f12768dedf69d90df96008700..cb5a95faa2731c8b64e9e787c2e666c8e41e30db 100644
--- a/src/MANYBODY/pair_eim.cpp
+++ b/src/MANYBODY/pair_eim.cpp
@@ -16,20 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_eim.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "force.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 #include "tokenizer.h"
-#include "potential_file_reader.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h
index 1266ffd242e7ef748cde9e3ec4b81fdeeb8af639..75f8ea6beaa25be2b083d4dcf97bc251f567bebd 100644
--- a/src/MANYBODY/pair_eim.h
+++ b/src/MANYBODY/pair_eim.h
@@ -21,7 +21,7 @@ PairStyle(eim,PairEIM)
 #define LMP_PAIR_EIM_H
 
 #include "pair.h"
-#include <string>
+
 #include <map>
 
 namespace LAMMPS_NS {
diff --git a/src/MANYBODY/pair_gw.cpp b/src/MANYBODY/pair_gw.cpp
index 0928d1469657e899eec9839a2dc24eecd497ad77..051c30f8733868da3fb434f9f9f06982d32c5445 100644
--- a/src/MANYBODY/pair_gw.cpp
+++ b/src/MANYBODY/pair_gw.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gw.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -29,7 +29,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MANYBODY/pair_gw_zbl.cpp b/src/MANYBODY/pair_gw_zbl.cpp
index 1a2bf5eb5d1bbb396195b2752c2ee07717d600e1..ee3bebda133169cea8fd4520e5360aa9888e27e2 100644
--- a/src/MANYBODY/pair_gw_zbl.cpp
+++ b/src/MANYBODY/pair_gw_zbl.cpp
@@ -17,21 +17,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gw_zbl.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "atom.h"
-#include "update.h"
-#include "force.h"
+
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "math_const.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
-#include "math_const.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp
index 56ef70d8f966e0f9a8a1fd2ab0e0e9c0008de324..d2e478b37dd52ea4ee71659ceb12ee2b5d9015dd 100644
--- a/src/MANYBODY/pair_lcbop.cpp
+++ b/src/MANYBODY/pair_lcbop.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lcbop.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,7 +29,7 @@
 #include "my_page.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp
index dc537a7b587b30f5b83a5f43f73c69d70b0a2b6e..0a197a157603825faf2a3314d3dc2cac631568d1 100644
--- a/src/MANYBODY/pair_nb3b_harmonic.cpp
+++ b/src/MANYBODY/pair_nb3b_harmonic.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_nb3b_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -29,7 +29,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MANYBODY/pair_polymorphic.cpp b/src/MANYBODY/pair_polymorphic.cpp
index 502580719a020866974f29fe7acb263df0f96394..0f7fd7a1c7bc4dee87e98590995f71537e8f5c1d 100644
--- a/src/MANYBODY/pair_polymorphic.cpp
+++ b/src/MANYBODY/pair_polymorphic.cpp
@@ -17,21 +17,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_polymorphic.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "force.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "force.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h
index 18956699d71793b1312d94df717185dfe72d63c5..2593905b227db369882513dc60b4e9623945523e 100644
--- a/src/MANYBODY/pair_polymorphic.h
+++ b/src/MANYBODY/pair_polymorphic.h
@@ -22,7 +22,6 @@ PairStyle(polymorphic,PairPolymorphic)
 
 #include "pair.h"
 #include <cmath>
-#include <cstring>
 
 namespace LAMMPS_NS {
 
diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp
index f6b5a803d25dbfa99542190881e929f878824198..2deb45ac75a5da5ef3fca043a8c7f9250c10dc0e 100644
--- a/src/MANYBODY/pair_sw.cpp
+++ b/src/MANYBODY/pair_sw.cpp
@@ -16,21 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_sw.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp
index c57740963f0a9a9f95fe0cda8b7ae7494d54a953..c08c722e5f9e80b59ba0475db5db62b845f31f3e 100644
--- a/src/MANYBODY/pair_tersoff.cpp
+++ b/src/MANYBODY/pair_tersoff.cpp
@@ -16,24 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tersoff.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "force.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
-#include "potential_file_reader.h"
-
+#include "force.h"
 #include "math_const.h"
 #include "math_special.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MANYBODY/pair_tersoff_mod.cpp b/src/MANYBODY/pair_tersoff_mod.cpp
index d1ab6f203483993c44b94735895f0688aff9483c..ea40125ce4868c6984855ffe466167578da1973d 100644
--- a/src/MANYBODY/pair_tersoff_mod.cpp
+++ b/src/MANYBODY/pair_tersoff_mod.cpp
@@ -17,20 +17,17 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tersoff_mod.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "atom.h"
-#include "force.h"
+
 #include "comm.h"
+#include "error.h"
 #include "math_const.h"
 #include "math_special.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MANYBODY/pair_tersoff_mod_c.cpp b/src/MANYBODY/pair_tersoff_mod_c.cpp
index ff8916cdcde18ecf7d76604d73c532276855fb5d..6a6497afae5dae53ecbb277f2ec5c9850d93c083 100644
--- a/src/MANYBODY/pair_tersoff_mod_c.cpp
+++ b/src/MANYBODY/pair_tersoff_mod_c.cpp
@@ -16,18 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tersoff_mod_c.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "atom.h"
-#include "force.h"
+
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MANYBODY/pair_tersoff_zbl.cpp b/src/MANYBODY/pair_tersoff_zbl.cpp
index 141cb45964a0ca03aea237ecfcf64c46cce6fcfe..fad89195b2f6c53ef882710fe1813e7f586362d0 100644
--- a/src/MANYBODY/pair_tersoff_zbl.cpp
+++ b/src/MANYBODY/pair_tersoff_zbl.cpp
@@ -17,21 +17,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tersoff_zbl.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "atom.h"
-#include "update.h"
-#include "force.h"
+
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MANYBODY/pair_vashishta.cpp b/src/MANYBODY/pair_vashishta.cpp
index 815854a34b61aa9d0256279df55b44de53d81231..63765234b3948f86c506f0ffeec1fa0007ff1dff 100644
--- a/src/MANYBODY/pair_vashishta.cpp
+++ b/src/MANYBODY/pair_vashishta.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_vashishta.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -29,7 +29,7 @@
 #include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp
index 53338f08dcdeb25ee7ab952e11153423e40e875f..f786179aa4ceaaab0ed95ec2e654ae3b4a87aeb7 100644
--- a/src/MC/fix_atom_swap.cpp
+++ b/src/MC/fix_atom_swap.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_atom_swap.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cctype>
 #include <cfloat>
diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp
index 833a071694b95a7da1146aed97e3c037aaa557b1..8a7cd20b0f9c0fa26c73027d73ea06b26de919a4 100644
--- a/src/MC/fix_bond_break.cpp
+++ b/src/MC/fix_bond_break.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_bond_break.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "update.h"
 #include "respa.h"
diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp
index 9603fc1583adbc5daeba85c0163c1cfbfb25017d..a2c2eee2c5cb19e9df9ea13db8f651bf8d094e79 100644
--- a/src/MC/fix_bond_create.cpp
+++ b/src/MC/fix_bond_create.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_bond_create.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "update.h"
 #include "respa.h"
diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp
index 82b27d490fc55db39b7f43e8dd72ecb247d07dd8..270a497772c1a3ae03101361cba441d477b931f8 100644
--- a/src/MC/fix_bond_swap.cpp
+++ b/src/MC/fix_bond_swap.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_bond_swap.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index f286ab6807ea1a35793e1707cf0ba619ae2f155b..fc306696eda0a22a769985927cbfec2cb6f2ff14 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_gcmc.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/MC/fix_tfmc.cpp b/src/MC/fix_tfmc.cpp
index cf327dc2e1b3526cf64e496457b755aa09cb0797..b855c0b79e35e9da035ec7266d5d6d081f3c1164 100644
--- a/src/MC/fix_tfmc.cpp
+++ b/src/MC/fix_tfmc.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tfmc.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include <cfloat>
diff --git a/src/MC/fix_widom.cpp b/src/MC/fix_widom.cpp
index 7f6f7ae1bde1c06dc152afd050fb8829e01c6ca1..94b248174272002cfd9ed5b654459702150a8e26 100644
--- a/src/MC/fix_widom.cpp
+++ b/src/MC/fix_widom.cpp
@@ -15,38 +15,35 @@
    Contributing author: Evangelos Voyiatzis (Royal DSM)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "fix_widom.h"
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "atom_vec_hybrid.h"
-#include "molecule.h"
-#include "update.h"
-#include "modify.h"
-#include "fix.h"
+#include "bond.h"
 #include "comm.h"
 #include "compute.h"
-#include "group.h"
+#include "dihedral.h"
 #include "domain.h"
-#include "region.h"
-#include "random_park.h"
+#include "error.h"
+#include "fix.h"
 #include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
 #include "kspace.h"
-#include "math_extra.h"
 #include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "thermo.h"
-#include "output.h"
+#include "modify.h"
+#include "molecule.h"
 #include "neighbor.h"
-#include <iostream>
+#include "pair.h"
+#include "random_park.h"
+#include "region.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace std;
 using namespace LAMMPS_NS;
diff --git a/src/MC/fix_widom.h b/src/MC/fix_widom.h
index 05060e76ac71bf5d90f7faa9a9c354688fcaf1c3..19102e4f4ac0ab53e89572ebfe399abfe62c8d4e 100644
--- a/src/MC/fix_widom.h
+++ b/src/MC/fix_widom.h
@@ -20,7 +20,6 @@ FixStyle(widom,FixWidom)
 #ifndef LMP_FIX_WIDOM_H
 #define LMP_FIX_WIDOM_H
 
-#include <cstdio>
 #include "fix.h"
 
 namespace LAMMPS_NS {
diff --git a/src/MC/pair_dsmc.cpp b/src/MC/pair_dsmc.cpp
index 30c66a671fb958ede354519c7b2dc081991846b8..588d57f324ad01fa1dbf4de088488f6e779b8091 100644
--- a/src/MC/pair_dsmc.cpp
+++ b/src/MC/pair_dsmc.cpp
@@ -16,19 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_dsmc.h"
-#include <mpi.h>
-#include <cmath>
-#include <climits>
+
 #include "atom.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "error.h"
-#include "domain.h"
-#include "update.h"
 #include "random_mars.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MISC/compute_msd_nongauss.cpp b/src/MISC/compute_msd_nongauss.cpp
index 6123bf49afec6f851fa9301769b537622063060d..7f4e6b1f3c7170b3c51e1a4b642e096375d0ecc8 100644
--- a/src/MISC/compute_msd_nongauss.cpp
+++ b/src/MISC/compute_msd_nongauss.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_msd_nongauss.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "group.h"
diff --git a/src/MISC/compute_ti.cpp b/src/MISC/compute_ti.cpp
index 286770017c3b1627b65f7a58bc26ecffbf8b0854..d8be8679c6956fd2c6e3f8575bddd82b6f1dfad2 100644
--- a/src/MISC/compute_ti.cpp
+++ b/src/MISC/compute_ti.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_ti.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
@@ -27,7 +27,7 @@
 #include "input.h"
 #include "variable.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MISC/dump_xtc.cpp b/src/MISC/dump_xtc.cpp
index fbd56b909601585c08326e5b7d8e60822dc7140d..9f2bbfe424f7ce4f68e84617e5c98797710ad6d8 100644
--- a/src/MISC/dump_xtc.cpp
+++ b/src/MISC/dump_xtc.cpp
@@ -24,7 +24,7 @@
 
 #include "dump_xtc.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <climits>
 #include "domain.h"
diff --git a/src/MISC/fix_deposit.cpp b/src/MISC/fix_deposit.cpp
index 7d9766c57c3049b6dbb79f6d38a6a8ee5d5a848f..7ee6fce1b979ac6588c9430255b7000f5481f781 100644
--- a/src/MISC/fix_deposit.cpp
+++ b/src/MISC/fix_deposit.cpp
@@ -12,26 +12,25 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_deposit.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
-#include "force.h"
-#include "update.h"
-#include "modify.h"
-#include "fix.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "fix.h"
 #include "lattice.h"
-#include "region.h"
-#include "random_park.h"
-#include "math_extra.h"
 #include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "molecule.h"
+#include "random_park.h"
+#include "region.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MISC/fix_efield.cpp b/src/MISC/fix_efield.cpp
index 0dc0be494722253b4c29ab76c1ee2d3031f9d1ee..bd2f9acfb91879076c46c80766593dc419056914 100644
--- a/src/MISC/fix_efield.cpp
+++ b/src/MISC/fix_efield.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_efield.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/MISC/fix_evaporate.cpp b/src/MISC/fix_evaporate.cpp
index 153de8851b551cac08f0802d38270597fba61d66..6396d139a0a1aa982c775d02678c4e37131e5a6d 100644
--- a/src/MISC/fix_evaporate.cpp
+++ b/src/MISC/fix_evaporate.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_evaporate.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "atom_vec.h"
diff --git a/src/MISC/fix_gld.cpp b/src/MISC/fix_gld.cpp
index c4ff1ebeba4296414b74aef8ea841a4ec5d33ddf..75642b632f8b8e8cad04dad9802c584a4d045767 100644
--- a/src/MISC/fix_gld.cpp
+++ b/src/MISC/fix_gld.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_gld.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/MISC/fix_oneway.cpp b/src/MISC/fix_oneway.cpp
index d2bef7cb9bd216dab3b8931390a7cbbd0255a42c..1ca24a5906bbc15da52d356f43f158887ef7309c 100644
--- a/src/MISC/fix_oneway.cpp
+++ b/src/MISC/fix_oneway.cpp
@@ -16,13 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_oneway.h"
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
 #include "region.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp
index 3141f6496ccac41c09881b1319bfa0560d17a010..cc22a509ba9aebd82bf1a06857ec2fcc98fc0cfb 100644
--- a/src/MISC/fix_orient_bcc.cpp
+++ b/src/MISC/fix_orient_bcc.cpp
@@ -19,25 +19,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_orient_bcc.h"
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include <mpi.h>
-#include <string>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
+#include "citeme.h"
 #include "comm.h"
-#include "force.h"
+#include "error.h"
 #include "math_const.h"
-#include "citeme.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp
index bcba14c355b16df378d00b8f2a689260fee83fe3..f391eab91e3280291da9c602a414c89ff098947f 100644
--- a/src/MISC/fix_orient_fcc.cpp
+++ b/src/MISC/fix_orient_fcc.cpp
@@ -16,25 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_orient_fcc.h"
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include <mpi.h>
-#include <string>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
+#include "citeme.h"
 #include "comm.h"
-#include "force.h"
+#include "error.h"
 #include "math_const.h"
-#include "citeme.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MISC/fix_thermal_conductivity.cpp b/src/MISC/fix_thermal_conductivity.cpp
index 7eec60be8bb64057dcf580448ec1e4e644126c19..115045db81d4d36ceee158657666a69a8f0979a0 100644
--- a/src/MISC/fix_thermal_conductivity.cpp
+++ b/src/MISC/fix_thermal_conductivity.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_thermal_conductivity.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp
index 24f988a76daa173ebd82985809ab72a1fad68cdd..2d38f3c6c695caba3b5d16793ef519472896e838 100644
--- a/src/MISC/fix_ttm.cpp
+++ b/src/MISC/fix_ttm.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ttm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,8 +29,8 @@
 #include "random_mars.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 #include "tokenizer.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/MISC/fix_viscosity.cpp b/src/MISC/fix_viscosity.cpp
index b8c04132ea29c8af6deb0745abaa107b635ee7d1..5dcd2d291d7a5813f15233c7d11995a177cff8bc 100644
--- a/src/MISC/fix_viscosity.cpp
+++ b/src/MISC/fix_viscosity.cpp
@@ -17,14 +17,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_viscosity.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "modify.h"
 #include "error.h"
-#include "force.h"
+#include "modify.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MISC/pair_nm_cut.cpp b/src/MISC/pair_nm_cut.cpp
index e2e6f408570d3549e23f70bf0181fccaf383f4e5..4fc1fb0628bb3faff8a2118d27c0dbcbb007dcc5 100644
--- a/src/MISC/pair_nm_cut.cpp
+++ b/src/MISC/pair_nm_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_nm_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp
index efc84f22b52e985d29cdbc762372227a5ffefcfa..4a18680415295c8c07ad00663b0e6cbf2c890e6f 100644
--- a/src/MISC/pair_nm_cut_coul_cut.cpp
+++ b/src/MISC/pair_nm_cut_coul_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_nm_cut_coul_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp
index 79b1ebae66d8e6eaac27dd5d0fd4020e3ef29533..576637c593ad22786b960194cdfe727eb0c82e5c 100644
--- a/src/MISC/pair_nm_cut_coul_long.cpp
+++ b/src/MISC/pair_nm_cut_coul_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_nm_cut_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MLIAP/compute_mliap.cpp b/src/MLIAP/compute_mliap.cpp
index 134994f829a067354e587123e4265b9ddb2896d8..956cb0196f1f0758a8495ee487d8f3e700cbf353 100644
--- a/src/MLIAP/compute_mliap.cpp
+++ b/src/MLIAP/compute_mliap.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
-#include <cstdlib>
+
 #include "mliap_data.h"
 #include "mliap_model_linear.h"
 #include "mliap_model_quadratic.h"
@@ -22,7 +22,6 @@
 #include "update.h"
 #include "modify.h"
 #include "neighbor.h"
-#include "neigh_list.h"
 #include "neigh_request.h"
 #include "force.h"
 #include "pair.h"
diff --git a/src/MLIAP/compute_mliap.h b/src/MLIAP/compute_mliap.h
index 5602ace89b81917c0e0bd2fc2106a712b31e09c5..1172111247619df60e975e917d653770824a51e3 100644
--- a/src/MLIAP/compute_mliap.h
+++ b/src/MLIAP/compute_mliap.h
@@ -21,7 +21,7 @@ ComputeStyle(mliap,ComputeMLIAP)
 #define LMP_COMPUTE_MLIAP_H
 
 #include "compute.h"
-#include <string>
+
 
 namespace LAMMPS_NS {
 
diff --git a/src/MLIAP/mliap_data.cpp b/src/MLIAP/mliap_data.cpp
index 7bffd8ec3b19d6c0d289733d87a36ab0c0876099..a7e50012cb484e8529fe2e1c16a04d68e46355cf 100644
--- a/src/MLIAP/mliap_data.cpp
+++ b/src/MLIAP/mliap_data.cpp
@@ -11,24 +11,13 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
-#include <cstdlib>
 #include "mliap_data.h"
-#include "mliap_model_linear.h"
-#include "mliap_model_quadratic.h"
-#include "mliap_descriptor_snap.h"
-#include "compute_mliap.h"
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "force.h"
-#include "pair.h"
-#include "comm.h"
 #include "memory.h"
-#include "error.h"
+#include "mliap_descriptor.h"
+#include "mliap_model.h"
+#include "neigh_list.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MLIAP/mliap_descriptor.cpp b/src/MLIAP/mliap_descriptor.cpp
index d654b330081b1275135703714ea2430070c8f17e..63d4241e019cc3ffde1efd41f7e85e00d36d56ef 100644
--- a/src/MLIAP/mliap_descriptor.cpp
+++ b/src/MLIAP/mliap_descriptor.cpp
@@ -12,14 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "mliap_descriptor.h"
-#include "atom.h"
-#include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 
-#define MAXLINE 1024
-#define MAXWORD 3
 
 /* ---------------------------------------------------------------------- */
 
diff --git a/src/MLIAP/mliap_descriptor_snap.cpp b/src/MLIAP/mliap_descriptor_snap.cpp
index fd1bf18330ce669d70cce1abbff5bdc1d5ffdddc..5f0ee33c8c4e23d48d035fcfc0b1a61e7100c0e2 100644
--- a/src/MLIAP/mliap_descriptor_snap.cpp
+++ b/src/MLIAP/mliap_descriptor_snap.cpp
@@ -12,20 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "mliap_descriptor_snap.h"
-#include "pair_mliap.h"
-#include "mliap_data.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "utils.h"
-#include "sna.h"
-#include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "memory.h"
+#include "mliap_data.h"
+#include "pair_mliap.h"
+#include "sna.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MLIAP/mliap_model.cpp b/src/MLIAP/mliap_model.cpp
index b8ad1913a0014750164d6550d88daed63e5a8951..b731e1c9f809e27c8644484d817582c6681898a7 100644
--- a/src/MLIAP/mliap_model.cpp
+++ b/src/MLIAP/mliap_model.cpp
@@ -12,17 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "mliap_model.h"
-#include "pair_mliap.h"
-#include <cstring>
-#include <cmath>
-#include "atom.h"
-#include "force.h"
+
 #include "comm.h"
-#include "utils.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "memory.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MLIAP/mliap_model_linear.h b/src/MLIAP/mliap_model_linear.h
index 67ba0985a2b4df3602b26d76a62d624602bbc387..326407faa84deb50b4b3bea190853a2879e4fd25 100644
--- a/src/MLIAP/mliap_model_linear.h
+++ b/src/MLIAP/mliap_model_linear.h
@@ -20,7 +20,7 @@ namespace LAMMPS_NS {
 
 class MLIAPModelLinear : public MLIAPModel {
 public:
-  MLIAPModelLinear(LAMMPS*, char* = NULL);
+  MLIAPModelLinear(LAMMPS*, char* = nullptr);
   ~MLIAPModelLinear();
   virtual int get_nparams();
   virtual int get_gamma_nnz(class MLIAPData*);
diff --git a/src/MLIAP/pair_mliap.cpp b/src/MLIAP/pair_mliap.cpp
index f2e042141c78d06941cf3ec4372d546fc9e115c9..4c6d90678786dab883de92e142623e85de08a4f2 100644
--- a/src/MLIAP/pair_mliap.cpp
+++ b/src/MLIAP/pair_mliap.cpp
@@ -11,22 +11,22 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+#include "pair_mliap.h"
+
 #include "mliap_data.h"
 #include "mliap_model_linear.h"
 #include "mliap_model_quadratic.h"
 #include "mliap_descriptor_snap.h"
-#include "pair_mliap.h"
+
 #include "atom.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "memory.h"
-#include "error.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/angle_charmm.cpp b/src/MOLECULE/angle_charmm.cpp
index 117056ac58ff00cdd332b6ff40406e5d0c696065..6cd550384d61c6e2a64d7310afdc1146dfcd53da 100644
--- a/src/MOLECULE/angle_charmm.cpp
+++ b/src/MOLECULE/angle_charmm.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_charmm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/angle_cosine.cpp b/src/MOLECULE/angle_cosine.cpp
index 732843f412d98f10748c43fe033af305f76d1198..0288a61d8330c3332d708267d2fc9d3165034b93 100644
--- a/src/MOLECULE/angle_cosine.cpp
+++ b/src/MOLECULE/angle_cosine.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp
index 2ec59bfb1ee9c913b37fcc79d044f7e103c242f6..1a05edc20bf7a6992db08b23b30238dcc7f919ac 100644
--- a/src/MOLECULE/angle_cosine_periodic.cpp
+++ b/src/MOLECULE/angle_cosine_periodic.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_periodic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/angle_cosine_squared.cpp b/src/MOLECULE/angle_cosine_squared.cpp
index ac276511a25290ea82d23531b1b76ab2ce9a92b5..5fb40b54c9dff1890e5e8d5c7967bd870e5e8365 100644
--- a/src/MOLECULE/angle_cosine_squared.cpp
+++ b/src/MOLECULE/angle_cosine_squared.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_squared.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/angle_harmonic.cpp b/src/MOLECULE/angle_harmonic.cpp
index 02bab37a8a979fd3e4ecbd8227d91ed6ef2a8f5f..eb5e48ec9b87c7b9d617596833d0b6cc861724ed 100644
--- a/src/MOLECULE/angle_harmonic.cpp
+++ b/src/MOLECULE/angle_harmonic.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/angle_table.cpp b/src/MOLECULE/angle_table.cpp
index 83e4485d481f099a6aed54e230f62602073b1d7f..100b75cb0a1d7399fa99929cb959c717e7f1b9c3 100644
--- a/src/MOLECULE/angle_table.cpp
+++ b/src/MOLECULE/angle_table.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_table.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -28,10 +28,10 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "table_file_reader.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/atom_vec_template.cpp b/src/MOLECULE/atom_vec_template.cpp
index 97d4c865baca9947ae8332a3491e1d8b4a99d742..ead8de7cb575523c1092f18bad17972ee5b1fe15 100644
--- a/src/MOLECULE/atom_vec_template.cpp
+++ b/src/MOLECULE/atom_vec_template.cpp
@@ -12,15 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_template.h"
+
 #include "atom.h"
-#include "molecule.h"
-#include "comm.h"
-#include "domain.h"
-#include "modify.h"
-#include "fix.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "molecule.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_fene.cpp b/src/MOLECULE/bond_fene.cpp
index 9617894a9a66ba7ce68bada3e303d0d4ffcea5be..b2271d45fcf0fd78df8580288358473cc8653f11 100644
--- a/src/MOLECULE/bond_fene.cpp
+++ b/src/MOLECULE/bond_fene.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_fene.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,8 +22,8 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_fene_expand.cpp b/src/MOLECULE/bond_fene_expand.cpp
index eec8c14872d5e0c008ccb6d547fb8382a212e247..676d5f6871eeb31a144892156aff6a396ad6ac5a 100644
--- a/src/MOLECULE/bond_fene_expand.cpp
+++ b/src/MOLECULE/bond_fene_expand.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_fene_expand.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -21,7 +21,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_gromos.cpp b/src/MOLECULE/bond_gromos.cpp
index 4e20a2711d65032e57f513d6da17dd83129f141f..89b3830cb53adc2678e876347827354ad5534687 100644
--- a/src/MOLECULE/bond_gromos.cpp
+++ b/src/MOLECULE/bond_gromos.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_gromos.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_harmonic.cpp b/src/MOLECULE/bond_harmonic.cpp
index 773a4ee12a91df47ae8f115def961074e121bb9d..28100512a8c398c6cfea283c480f96df0fc9652a 100644
--- a/src/MOLECULE/bond_harmonic.cpp
+++ b/src/MOLECULE/bond_harmonic.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp
index 38d8d6a45f1e6882be425698cf114510ba56348a..49074e1cdc393430f16f3da262c0cba29aa68c1a 100644
--- a/src/MOLECULE/bond_morse.cpp
+++ b/src/MOLECULE/bond_morse.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_morse.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -25,7 +25,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_nonlinear.cpp b/src/MOLECULE/bond_nonlinear.cpp
index 1733ffc6706312fe46656024ef7069423a2d585b..63b640730af0651775c862af628ff5ee6044b8cd 100644
--- a/src/MOLECULE/bond_nonlinear.cpp
+++ b/src/MOLECULE/bond_nonlinear.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_nonlinear.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_quartic.cpp b/src/MOLECULE/bond_quartic.cpp
index c89ac552aead1ed9b38926fb19dd2adeadf9dfad..c8d182e4ffaf97fe0a5b067e78018ef3de31fd6e 100644
--- a/src/MOLECULE/bond_quartic.cpp
+++ b/src/MOLECULE/bond_quartic.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_quartic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -25,7 +25,7 @@
 #include "pair.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/bond_table.cpp b/src/MOLECULE/bond_table.cpp
index 2724d4f20c349a66ae0365c6671cade2957494ae..5cc91ceae09c2a88f8ced4a97648ed66d0f176e0 100644
--- a/src/MOLECULE/bond_table.cpp
+++ b/src/MOLECULE/bond_table.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_table.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,10 +26,10 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "table_file_reader.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp
index 71c9f586a3161d13b2569ecc512b0d5e39afcd1c..11422e0820df1101d0af4bf09629c971f40aae8f 100644
--- a/src/MOLECULE/dihedral_charmm.cpp
+++ b/src/MOLECULE/dihedral_charmm.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_charmm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,7 +29,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp
index d4956b42bd290e94b1f9107c7f6b3c428aa93962..408be8ef9986cc633234dffd8610480e02308248 100644
--- a/src/MOLECULE/dihedral_charmmfsw.cpp
+++ b/src/MOLECULE/dihedral_charmmfsw.cpp
@@ -19,7 +19,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_charmmfsw.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -32,7 +32,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/dihedral_harmonic.cpp b/src/MOLECULE/dihedral_harmonic.cpp
index 403bafd23e228c6c40aebdf4189e8d6f5e33e30e..55e2f250061dcf680e82d4f322dbdfb39b5dd220 100644
--- a/src/MOLECULE/dihedral_harmonic.cpp
+++ b/src/MOLECULE/dihedral_harmonic.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/dihedral_helix.cpp b/src/MOLECULE/dihedral_helix.cpp
index ce31a12ed3f030eb464f00e9a5ec4941c983a0b7..40e026c2f1f45059ecc310d1b2c6708e89335897 100644
--- a/src/MOLECULE/dihedral_helix.cpp
+++ b/src/MOLECULE/dihedral_helix.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_helix.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/dihedral_multi_harmonic.cpp b/src/MOLECULE/dihedral_multi_harmonic.cpp
index a3c76b91ee74ec493a51766d49b3dbe09bcb5519..963304da80ad884054929f00c252f2f4f16a60c4 100644
--- a/src/MOLECULE/dihedral_multi_harmonic.cpp
+++ b/src/MOLECULE/dihedral_multi_harmonic.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_multi_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -25,7 +25,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/dihedral_opls.cpp b/src/MOLECULE/dihedral_opls.cpp
index 151986ca3f68b1de8171ff540f4bcf194140e563..fe05dc7c3d0a1cf3fb9df28eda21b1679f85a5f4 100644
--- a/src/MOLECULE/dihedral_opls.cpp
+++ b/src/MOLECULE/dihedral_opls.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_opls.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/fix_cmap.cpp b/src/MOLECULE/fix_cmap.cpp
index ddf035070b679d9a899d2ecf1d8e673f949d1565..2de6dd418313eeb96b08db6f775cff7639682b06 100644
--- a/src/MOLECULE/fix_cmap.cpp
+++ b/src/MOLECULE/fix_cmap.cpp
@@ -28,9 +28,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_cmap.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
@@ -41,8 +41,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/MOLECULE/improper_cvff.cpp b/src/MOLECULE/improper_cvff.cpp
index d819642bb10b42c0217173c457afe98303f421f7..90cf3eee3915584392491d4b569504971ca5355d 100644
--- a/src/MOLECULE/improper_cvff.cpp
+++ b/src/MOLECULE/improper_cvff.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_cvff.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -21,7 +21,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/improper_harmonic.cpp b/src/MOLECULE/improper_harmonic.cpp
index 2af1126876a6a3c7e76090db5e4589e2b593cbb8..6327ea8b06476ff2c81d692fdf4eac0a58f51a7a 100644
--- a/src/MOLECULE/improper_harmonic.cpp
+++ b/src/MOLECULE/improper_harmonic.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/improper_umbrella.cpp b/src/MOLECULE/improper_umbrella.cpp
index 1f2da63486fa549621c1204f870b9cdc0f73dc7b..7b2c4e0b09520238542d7bbf429f0a905565e2c3 100644
--- a/src/MOLECULE/improper_umbrella.cpp
+++ b/src/MOLECULE/improper_umbrella.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_umbrella.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
index 69ea81a0176b7705947649433c8ae8592fb1b29b..6d9c851422b0729cf24d3725e373d16fd3f2767f 100644
--- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp
+++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp
@@ -30,7 +30,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp
index 8d6dfc7d68d8c88366d4d8ce216abe06234d3326..422da8d827e003a5be7a1a8669ebdd410e6620bf 100644
--- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp
+++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp
@@ -30,7 +30,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
index f09f9a483acea6f6a4b37fb185af74f61dc49c7b..dea6bd62514e014aa211f85cf25b817831b9f702 100644
--- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
+++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_charmm_coul_charmm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
index e646392e0e29a4238798de98cbe93fd6ad93ee3b..31083312a9c2f72f3f59dd2008bf3a232d7e8665 100644
--- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
+++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
@@ -20,7 +20,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_charmmfsw_coul_charmmfsh.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
index b23195086c192b135649fcf6d30ab5e1a6244fd8..b5ed2557890980b38de4ded4378af87822cea327 100644
--- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
+++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_tip4p_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp
index bea8acbcbcd6c50aa7b7d52e743f057060497241..8d8f5ec78ec5810ce7607aee5ac843bd321fa149 100644
--- a/src/MOLECULE/pair_tip4p_cut.cpp
+++ b/src/MOLECULE/pair_tip4p_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tip4p_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
@@ -28,7 +28,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/MPIIO/dump_atom_mpiio.cpp b/src/MPIIO/dump_atom_mpiio.cpp
index 9d15e8b1a88c44cfb18cd36dac31c03dada15528..62d940af3717dc6e91aed907d346e61dce7145bf 100644
--- a/src/MPIIO/dump_atom_mpiio.cpp
+++ b/src/MPIIO/dump_atom_mpiio.cpp
@@ -18,7 +18,7 @@
 #include "omp_compat.h"
 #include "dump_atom_mpiio.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "domain.h"
 #include "update.h"
diff --git a/src/MPIIO/dump_cfg_mpiio.cpp b/src/MPIIO/dump_cfg_mpiio.cpp
index bca19e58c87230e5f2774ce17fce2e41af63f93d..6d5fc3da8e6f756a5446c2bcd2d713840c65e035 100644
--- a/src/MPIIO/dump_cfg_mpiio.cpp
+++ b/src/MPIIO/dump_cfg_mpiio.cpp
@@ -17,15 +17,16 @@
 
 #include "omp_compat.h"
 #include "dump_cfg_mpiio.h"
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
 #include "update.h"
 #include "memory.h"
 #include "error.h"
 
+#include <cmath>
+#include <cstring>
+
 #ifdef LMP_USER_IO_TIMER
 #include <sys/times.h>
 #include <hwi/include/bqc/A2_inlines.h>
diff --git a/src/MPIIO/dump_custom_mpiio.cpp b/src/MPIIO/dump_custom_mpiio.cpp
index 3f9c09738e9bc09ec5768bdc902c47212e1bf922..b623df82d086598f35ae2e18a298fce730f6ffdd 100644
--- a/src/MPIIO/dump_custom_mpiio.cpp
+++ b/src/MPIIO/dump_custom_mpiio.cpp
@@ -18,7 +18,7 @@
 #include "omp_compat.h"
 #include "dump_custom_mpiio.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "domain.h"
 #include "input.h"
diff --git a/src/MPIIO/dump_xyz_mpiio.cpp b/src/MPIIO/dump_xyz_mpiio.cpp
index d1b2d5079ab57edcfec7760a77335092b7de9461..139245e4b0ad8da087d88ed29523b3f1445710e6 100644
--- a/src/MPIIO/dump_xyz_mpiio.cpp
+++ b/src/MPIIO/dump_xyz_mpiio.cpp
@@ -18,7 +18,7 @@
 #include "omp_compat.h"
 #include "dump_xyz_mpiio.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "domain.h"
 #include "update.h"
diff --git a/src/MPIIO/restart_mpiio.cpp b/src/MPIIO/restart_mpiio.cpp
index 66c7d8a4170c25621081e34c872441b2676dca8d..b2caa411e3572c0873339079fae7ff6e65762d04 100644
--- a/src/MPIIO/restart_mpiio.cpp
+++ b/src/MPIIO/restart_mpiio.cpp
@@ -16,8 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "restart_mpiio.h"
-#include <mpi.h>
-#include <climits>
+
 #include "error.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/MSCG/fix_mscg.cpp b/src/MSCG/fix_mscg.cpp
index 9c9e415be5136dead7c279ca1a9199ddfbb98e07..29d6d550e415788e17a0cca646f72165517ba4d7 100644
--- a/src/MSCG/fix_mscg.cpp
+++ b/src/MSCG/fix_mscg.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_mscg.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <cstdlib>
+
 #include "mscg.h"
 #include "atom.h"
 #include "comm.h"
diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp
index e6b6fb72f4247562386bfc07fa6bf6b037263c55..82510e817798387cc6f5e2b558ac25e6e91d5d10 100644
--- a/src/OPT/pair_eam_opt.cpp
+++ b/src/OPT/pair_eam_opt.cpp
@@ -21,7 +21,7 @@
 
 #include "pair_eam_opt.h"
 #include <cmath>
-#include <cstdlib>
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.cpp b/src/OPT/pair_lj_charmm_coul_long_opt.cpp
index 3dc6bdb6b4ea769309457f2d410e448be1f7af86..a7fbfb823a2979a2525d738390755a5194615a25 100644
--- a/src/OPT/pair_lj_charmm_coul_long_opt.cpp
+++ b/src/OPT/pair_lj_charmm_coul_long_opt.cpp
@@ -20,7 +20,7 @@
 
 #include "pair_lj_charmm_coul_long_opt.h"
 #include <cmath>
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"
diff --git a/src/OPT/pair_lj_cut_opt.cpp b/src/OPT/pair_lj_cut_opt.cpp
index 3b3a19a9e8eff985f555fef08ffc908d77c1822c..a31f521ecc68180f8f51716f8ad347aab580d27d 100644
--- a/src/OPT/pair_lj_cut_opt.cpp
+++ b/src/OPT/pair_lj_cut_opt.cpp
@@ -19,7 +19,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_opt.h"
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"
diff --git a/src/OPT/pair_morse_opt.cpp b/src/OPT/pair_morse_opt.cpp
index 1d2e226777eb3b549d85602f7952690a48e0892f..89d254ee0439d20af10e6b409b469c28341d4749 100644
--- a/src/OPT/pair_morse_opt.cpp
+++ b/src/OPT/pair_morse_opt.cpp
@@ -20,7 +20,7 @@
 
 #include "pair_morse_opt.h"
 #include <cmath>
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "neigh_list.h"
diff --git a/src/OPT/pair_ufm_opt.cpp b/src/OPT/pair_ufm_opt.cpp
index d824d82e6c37f6769ac117a8672fa1606937020d..2cb5323745f51f146de72cc7901603102ac7a31f 100644
--- a/src/OPT/pair_ufm_opt.cpp
+++ b/src/OPT/pair_ufm_opt.cpp
@@ -18,7 +18,7 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_ufm_opt.h"
-#include <cstdlib>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
diff --git a/src/PERI/atom_vec_peri.cpp b/src/PERI/atom_vec_peri.cpp
index 5ce74575ba479c6821caa96d1a4f2710c802ec2a..ada25431c8af4f6c6c3d1eb6af88025e5481533a 100644
--- a/src/PERI/atom_vec_peri.cpp
+++ b/src/PERI/atom_vec_peri.cpp
@@ -16,13 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_peri.h"
-#include <cfloat>
-#include <cstring>
+
 #include "atom.h"
 #include "citeme.h"
-#include "memory.h"
 #include "error.h"
 
+#include <cfloat>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 static const char cite_peri_package[] =
diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp
index 022eb0bab6cd9c54c5239c3d68cd587584d23d03..295038119735d2e65fd8fdcbce3c69a7d04ee857 100644
--- a/src/PERI/fix_peri_neigh.cpp
+++ b/src/PERI/fix_peri_neigh.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_peri_neigh.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "pair_peri_lps.h"
 #include "pair_peri_ves.h"
diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp
index 5e3a514b617ff4e9c4108fe115e9c0744b40835f..0e5760ac8df7eb87c4e644f20692b5e6dd448ddd 100644
--- a/src/PERI/pair_peri_eps.cpp
+++ b/src/PERI/pair_peri_eps.cpp
@@ -16,24 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_peri_eps.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "comm.h"
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
+#include "lattice.h"
+#include "math_const.h"
+#include "memory.h"
 #include "modify.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
-#include "comm.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "memory.h"
-#include "math_const.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp
index e73e2eff677d2ff89bb46543582d1bd6379fda9c..b60f28d9f12556b2c2ba830f873de2b5ea16ea89 100644
--- a/src/PERI/pair_peri_lps.cpp
+++ b/src/PERI/pair_peri_lps.cpp
@@ -16,24 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_peri_lps.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "comm.h"
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
+#include "lattice.h"
+#include "math_const.h"
+#include "memory.h"
 #include "modify.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
-#include "comm.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "math_const.h"
+#include "neighbor.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp
index cf751885d6fc7569cdeaaaec1985590c2b6f1f3b..5d6973a9151b670ed4bf315c94a16c59c5bd747a 100644
--- a/src/PERI/pair_peri_pmb.cpp
+++ b/src/PERI/pair_peri_pmb.cpp
@@ -16,24 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_peri_pmb.h"
-#include <mpi.h>
-#include <cmath>
-#include <cfloat>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "comm.h"
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
+#include "lattice.h"
+#include "memory.h"
 #include "modify.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
-#include "comm.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cfloat>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp
index 138584123af1f3efa32dbb4641cd624c31fc5cc6..93c980702bd8350eff7fbe3ddb8ead0b12aa21d0 100644
--- a/src/PERI/pair_peri_ves.cpp
+++ b/src/PERI/pair_peri_ves.cpp
@@ -16,25 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_peri_ves.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "comm.h"
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
+#include "lattice.h"
+#include "memory.h"
 #include "modify.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
-#include "comm.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
 #include "update.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/POEMS/fix_poems.cpp b/src/POEMS/fix_poems.cpp
index b0b1287717e102efad59a32cc1c1a28a1795a269..12dc59c28681316742f3c2047bd17a042a95972e 100644
--- a/src/POEMS/fix_poems.cpp
+++ b/src/POEMS/fix_poems.cpp
@@ -18,10 +18,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_poems.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "workspace.h"
 #include "atom.h"
 #include "domain.h"
@@ -34,8 +34,8 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/PYTHON/fix_python_invoke.cpp b/src/PYTHON/fix_python_invoke.cpp
index 767c22c49634958769328ec70f68d505da3f1931..8966d9a9db621ebf640e036081147e3e55b84295 100644
--- a/src/PYTHON/fix_python_invoke.cpp
+++ b/src/PYTHON/fix_python_invoke.cpp
@@ -16,13 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_python_invoke.h"
-#include <Python.h>   // IWYU pragma: keep
-#include <cstring>
-#include "force.h"
-#include "update.h"
+
 #include "error.h"
 #include "lmppython.h"
 #include "python_compat.h"
+#include "update.h"
+
+#include <cstring>
+#include <Python.h>   // IWYU pragma: export
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/PYTHON/fix_python_move.cpp b/src/PYTHON/fix_python_move.cpp
index be63b851a2b62062d64689c611b21d75cdbb85a2..53bde5e8045a1e0957c0a264b18b80782fbd0410 100644
--- a/src/PYTHON/fix_python_move.cpp
+++ b/src/PYTHON/fix_python_move.cpp
@@ -16,12 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_python_move.h"
-#include <Python.h>   // IWYU pragma: keep
-#include <cstring>
-#include "lmppython.h"
+
 #include "error.h"
+#include "lmppython.h"
 #include "python_compat.h"
 
+#include <cstring>
+#include <Python.h>   // IWYU pragma: export
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/PYTHON/pair_python.cpp b/src/PYTHON/pair_python.cpp
index d0650bcb51a16063b1eed9af507d2bf4e3503e47..074de2f39a64c3eadfdabe811851392581658dad 100644
--- a/src/PYTHON/pair_python.cpp
+++ b/src/PYTHON/pair_python.cpp
@@ -16,17 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_python.h"
-#include <Python.h>  // IWYU pragma: keep
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
+#include "error.h"
 #include "force.h"
+#include "lmppython.h"
 #include "memory.h"
-#include "update.h"
 #include "neigh_list.h"
-#include "lmppython.h"
-#include "error.h"
 #include "python_compat.h"
+#include "update.h"
+
+#include <cstring>
+#include <Python.h>  // IWYU pragma: export
 
 using namespace LAMMPS_NS;
 
diff --git a/src/PYTHON/python_compat.h b/src/PYTHON/python_compat.h
index 175d797ffa150589fe8d0bedb901c3a6527c3867..effac81cef8304c13f6e3dc63c10685933e1e4f6 100644
--- a/src/PYTHON/python_compat.h
+++ b/src/PYTHON/python_compat.h
@@ -14,6 +14,8 @@
 #ifndef LMP_PYTHON_COMPAT_H
 #define LMP_PYTHON_COMPAT_H
 
+#include <Python.h>
+
 // Wrap API changes between Python 2 and 3 using macros
 #if PY_MAJOR_VERSION == 2
 #define PY_INT_FROM_LONG(X) PyInt_FromLong(X)
diff --git a/src/PYTHON/python_impl.cpp b/src/PYTHON/python_impl.cpp
index b54abe28b0d144ec972ec2e01af494c6b8b9886d..cb35cba85ae6800495162244782394af8e4b4f82 100644
--- a/src/PYTHON/python_impl.cpp
+++ b/src/PYTHON/python_impl.cpp
@@ -12,19 +12,19 @@
 ------------------------------------------------------------------------- */
 
 /* ----------------------------------------------------------------------
-   Contributing author: Richard Berger and Axel Kohlmeyer (Temple U)
+   Contributing authors: Richard Berger and Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
 #include "python_impl.h"
-#include <cstdlib>
-#include <cstring>
-#include <Python.h>  // IWYU pragma: keep
-#include "force.h"
+
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
 #include "python_compat.h"
+#include "variable.h"
+
+#include <cstring>
+#include <Python.h>  // IWYU pragma: export
 
 using namespace LAMMPS_NS;
 
diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp
index ba4932a485a7adb74d5745afc920cb5997248c6f..5cadce617f40a4296fb1521b0619d20d6eacadd6 100644
--- a/src/QEQ/fix_qeq.cpp
+++ b/src/QEQ/fix_qeq.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp
index a2cc683b564df03727a1f0a7f3b3c74162f3628e..7f50736b188f1c32ac6e215bbf2d75786effa5e4 100644
--- a/src/QEQ/fix_qeq_dynamic.cpp
+++ b/src/QEQ/fix_qeq_dynamic.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_dynamic.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp
index 265528a089ca0ae72fe779c55ae2699bc4dbf14b..6dcc5e9cdca813e35bf82c8a3e521ad7028841e5 100644
--- a/src/QEQ/fix_qeq_fire.cpp
+++ b/src/QEQ/fix_qeq_fire.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_fire.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp
index 4f5369eb877890cf4a36d9a72710f65fc276a481..327a9c5b3ae7f89739763c26158c83524f001d83 100644
--- a/src/QEQ/fix_qeq_slater.cpp
+++ b/src/QEQ/fix_qeq_slater.cpp
@@ -17,7 +17,7 @@
 
 #include "fix_qeq_slater.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
diff --git a/src/REPLICA/compute_event_displace.cpp b/src/REPLICA/compute_event_displace.cpp
index e130f85f5ffffc2c68fdf198898b37b2a9e341b3..531f488e60426debfefc964d8cea917291175ca2 100644
--- a/src/REPLICA/compute_event_displace.cpp
+++ b/src/REPLICA/compute_event_displace.cpp
@@ -16,16 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_event_displace.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "modify.h"
-#include "fix_event.h"
 #include "error.h"
-#include "force.h"
+#include "fix_event.h"
+#include "modify.h"
 #include "update.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define INVOKED_SCALAR 1
diff --git a/src/REPLICA/fix_event_hyper.cpp b/src/REPLICA/fix_event_hyper.cpp
index ddbe10adc94baca2a4063c17ea3d9f15aa32db88..ba784cc3e98c88368798f5c4ce909f06640882b2 100644
--- a/src/REPLICA/fix_event_hyper.cpp
+++ b/src/REPLICA/fix_event_hyper.cpp
@@ -12,6 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_event_hyper.h"
+
 #include "comm.h"
 #include "error.h"
 #include "update.h"
diff --git a/src/REPLICA/fix_hyper_global.cpp b/src/REPLICA/fix_hyper_global.cpp
index 16c37fcb77eb430f20ac93350934e1835889f40d..f104d14c2f0f76b379d23b70596b26a20d02f6c1 100644
--- a/src/REPLICA/fix_hyper_global.cpp
+++ b/src/REPLICA/fix_hyper_global.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_hyper_global.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp
index 9e3ce9b00d6ad8f0c53d4ad130d7310fb5609ecb..e57419022ccb72a6c07ab5be03a090ad9af58c1d 100644
--- a/src/REPLICA/fix_hyper_local.cpp
+++ b/src/REPLICA/fix_hyper_local.cpp
@@ -12,10 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_hyper_local.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "update.h"
 #include "group.h"
@@ -30,7 +30,7 @@
 #include "math_extra.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp
index 93689eb7f9346e5383bd76e4c8024d4ccb8abee5..b2981afa0102c3696ae52e35e0ab16263a0f38c1 100644
--- a/src/REPLICA/fix_neb.cpp
+++ b/src/REPLICA/fix_neb.cpp
@@ -17,22 +17,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_neb.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
-#include "universe.h"
-#include "update.h"
+
 #include "atom.h"
-#include "domain.h"
 #include "comm.h"
-#include "modify.h"
 #include "compute.h"
-#include "group.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "force.h"
+#include "group.h"
 #include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/REPLICA/hyper.cpp b/src/REPLICA/hyper.cpp
index 1e78326fbde9be16bf17dadb116b2171e17392ca..6c4cba4ab8a1f535926c8c5cb2a42f135c191bce 100644
--- a/src/REPLICA/hyper.cpp
+++ b/src/REPLICA/hyper.cpp
@@ -12,28 +12,25 @@
 ------------------------------------------------------------------------- */
 
 #include "hyper.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include "update.h"
+
+#include "compute_event_displace.h"
 #include "domain.h"
-#include "region.h"
+#include "dump.h"
+#include "error.h"
+#include "finish.h"
+#include "fix_event_hyper.h"
+#include "fix_hyper.h"
 #include "integrate.h"
+#include "memory.h"
 #include "min.h"
-#include "force.h"
-#include "neighbor.h"
 #include "modify.h"
-#include "compute_event_displace.h"
-#include "fix_hyper.h"
-#include "fix_event_hyper.h"
+#include "neighbor.h"
 #include "output.h"
-#include "dump.h"
-#include "finish.h"
+#include "region.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp
index 34b5cf40fed828cfa8c8f7cb2fae4be6c10e1570..2d1dd6eea756286862952964d923a2192141c5ca 100644
--- a/src/REPLICA/neb.cpp
+++ b/src/REPLICA/neb.cpp
@@ -12,28 +12,26 @@
 ------------------------------------------------------------------------- */
 
 #include "neb.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "universe.h"
+
 #include "atom.h"
-#include "update.h"
-#include "domain.h"
 #include "comm.h"
-#include "min.h"
-#include "modify.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
 #include "fix.h"
 #include "fix_neb.h"
+#include "math_const.h"
+#include "memory.h"
+#include "min.h"
+#include "modify.h"
 #include "output.h"
 #include "thermo.h"
-#include "finish.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "math_const.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/REPLICA/prd.cpp b/src/REPLICA/prd.cpp
index 796cf01681f8b9473b08cb7919e5758245f89fec..cdb1eb9b029b003cc1cce0a35aa425fbb0e2bff7 100644
--- a/src/REPLICA/prd.cpp
+++ b/src/REPLICA/prd.cpp
@@ -16,32 +16,29 @@
 ------------------------------------------------------------------------- */
 
 #include "prd.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include "universe.h"
-#include "update.h"
+
 #include "atom.h"
-#include "domain.h"
-#include "region.h"
 #include "comm.h"
-#include "velocity.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
+#include "fix_event_prd.h"
 #include "integrate.h"
+#include "memory.h"
 #include "min.h"
-#include "neighbor.h"
 #include "modify.h"
-#include "compute.h"
-#include "fix.h"
-#include "fix_event_prd.h"
-#include "force.h"
-#include "random_park.h"
-#include "random_mars.h"
+#include "neighbor.h"
 #include "output.h"
-#include "finish.h"
+#include "random_mars.h"
+#include "random_park.h"
+#include "region.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+#include "velocity.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/REPLICA/tad.cpp b/src/REPLICA/tad.cpp
index fba753d602fedd843e10608a9d7a6e53fe0be305..db74b63c35341bc94c46e9002cf726a0cd54c66b 100644
--- a/src/REPLICA/tad.cpp
+++ b/src/REPLICA/tad.cpp
@@ -16,28 +16,28 @@
 ------------------------------------------------------------------------- */
 
 #include "tad.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "universe.h"
-#include "update.h"
+
 #include "atom.h"
+#include "compute.h"
 #include "domain.h"
+#include "error.h"
+#include "finish.h"
+#include "fix_event_tad.h"
+#include "fix_store.h"
+#include "force.h"
 #include "integrate.h"
+#include "memory.h"
 #include "min.h"
-#include "neighbor.h"
 #include "modify.h"
 #include "neb.h"
-#include "compute.h"
-#include "fix_event_tad.h"
-#include "fix_store.h"
-#include "force.h"
+#include "neighbor.h"
 #include "output.h"
-#include "finish.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/REPLICA/temper.cpp b/src/REPLICA/temper.cpp
index a7ad4c068b465eb20e9eb028127121607bbbf9ac..0cce389bf0a0069770a73f09ec988439c4f23ea8 100644
--- a/src/REPLICA/temper.cpp
+++ b/src/REPLICA/temper.cpp
@@ -16,22 +16,23 @@
 ------------------------------------------------------------------------- */
 
 #include "temper.h"
-#include <cmath>
-#include <cstring>
-#include "universe.h"
-#include "domain.h"
+
 #include "atom.h"
-#include "update.h"
-#include "integrate.h"
-#include "modify.h"
 #include "compute.h"
-#include "force.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
 #include "fix.h"
+#include "force.h"
+#include "integrate.h"
+#include "modify.h"
 #include "random_park.h"
-#include "finish.h"
 #include "timer.h"
-#include "error.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/RIGID/fix_ehex.cpp b/src/RIGID/fix_ehex.cpp
index 03119d304eac86947777f44bb64fd9136a73abde..03b79cc75008620d654b4a9a434b7a915bda6dfb 100644
--- a/src/RIGID/fix_ehex.cpp
+++ b/src/RIGID/fix_ehex.cpp
@@ -23,7 +23,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ehex.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/RIGID/fix_rattle.cpp b/src/RIGID/fix_rattle.cpp
index ff31ab97559e5fd14c322edcff46f3696ad739de..436b2191ff8fac1bcbfe314c056422252e5a0fd0 100644
--- a/src/RIGID/fix_rattle.cpp
+++ b/src/RIGID/fix_rattle.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rattle.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp
index 761b9572928de6b28fa1eee243510c9135bf21a5..f74cce82334608022bca0e67b286a7f2072c285a 100644
--- a/src/RIGID/fix_rigid.cpp
+++ b/src/RIGID/fix_rigid.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "math_extra.h"
 #include "atom.h"
@@ -35,8 +35,8 @@
 #include "memory.h"
 #include "error.h"
 #include "rigid_const.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp
index 5b75640549a74222612277489256f0140f5dedf4..d1204e2bbc4e4d051f972d6b9dc37c1c79ad7149 100644
--- a/src/RIGID/fix_rigid_nh_small.cpp
+++ b/src/RIGID/fix_rigid_nh_small.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_nh_small.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_extra.h"
diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp
index 01dd9e889e3647b41d6ae7411b03c7f50cec72e0..85cadc826ed441c8a417dea7d12fe363f9d31b5e 100644
--- a/src/RIGID/fix_rigid_small.cpp
+++ b/src/RIGID/fix_rigid_small.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rigid_small.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <utility>
 #include "math_extra.h"
@@ -39,8 +39,8 @@
 #include "memory.h"
 #include "error.h"
 #include "rigid_const.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 #include <map>
 
diff --git a/src/RIGID/fix_shake.cpp b/src/RIGID/fix_shake.cpp
index d6603cd7b66cad47bea72ba9c0da82175e82b92c..ee88f57341ae0f5b26b042e333ec8fdbe8811516 100644
--- a/src/RIGID/fix_shake.cpp
+++ b/src/RIGID/fix_shake.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_shake.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cctype>
 #include <cstring>
@@ -32,8 +32,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/SHOCK/fix_append_atoms.cpp b/src/SHOCK/fix_append_atoms.cpp
index b5b586bc7f784af07d719440067651076602ac0c..509e45202ca4b14292d192f6fef68ed85f22eb21 100644
--- a/src/SHOCK/fix_append_atoms.cpp
+++ b/src/SHOCK/fix_append_atoms.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_append_atoms.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/SHOCK/fix_msst.cpp b/src/SHOCK/fix_msst.cpp
index 986b1323e81803c7ac93a9b8a153031f422b037a..3930133221d91b5a25caa1229921753b05ae9d28 100644
--- a/src/SHOCK/fix_msst.cpp
+++ b/src/SHOCK/fix_msst.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_msst.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "atom.h"
@@ -32,8 +32,8 @@
 #include "domain.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp
index 1e85441d1f02278b1d90077b952da63f66de2df7..37b82b86f0fea468428ae303051e1bff4e41f01f 100644
--- a/src/SNAP/compute_sna_atom.cpp
+++ b/src/SNAP/compute_sna_atom.cpp
@@ -13,7 +13,7 @@
 
 #include "compute_sna_atom.h"
 #include <cstring>
-#include <cstdlib>
+
 #include "sna.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp
index 13761930705b10431ab2a2d82a6055d1c21451b2..bb546708b84a0c1010ca7bdb12e1775e53fc0438 100644
--- a/src/SNAP/compute_snad_atom.cpp
+++ b/src/SNAP/compute_snad_atom.cpp
@@ -13,7 +13,7 @@
 
 #include "compute_snad_atom.h"
 #include <cstring>
-#include <cstdlib>
+
 #include "sna.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/SNAP/compute_snap.cpp b/src/SNAP/compute_snap.cpp
index eb18b7274e9470e2241ab9dc32111ff7cff5cb94..ca989a75b41cfd13529d6cfe229d862f5a94612b 100644
--- a/src/SNAP/compute_snap.cpp
+++ b/src/SNAP/compute_snap.cpp
@@ -13,7 +13,7 @@
 
 #include "compute_snap.h"
 #include <cstring>
-#include <cstdlib>
+
 #include "sna.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp
index 066fc56c119be7bf058ef769f30dda55824c522e..dd562cac5c84285730bb7318cf9413ec6999dbff 100644
--- a/src/SNAP/compute_snav_atom.cpp
+++ b/src/SNAP/compute_snav_atom.cpp
@@ -13,7 +13,7 @@
 
 #include "compute_snav_atom.h"
 #include <cstring>
-#include <cstdlib>
+
 #include "sna.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp
index 48014592edb5932077e61c1df48e006749d40e3a..cb1a71aa453849b119412fe5f850cd5546461ecd 100644
--- a/src/SNAP/pair_snap.cpp
+++ b/src/SNAP/pair_snap.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_snap.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -25,7 +25,7 @@
 #include "sna.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp
index 94eff27f5357e08e541be9aeeae989bd26f41aec..281100740aadd5f2c6d4f9a0ddc9609f2cc0d341 100644
--- a/src/SPIN/compute_spin.cpp
+++ b/src/SPIN/compute_spin.cpp
@@ -22,7 +22,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_spin.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp
index 6df9dd4af290bb3722807e0740da070c7dad2450..82bf83ac10342b9a222d0ffe1b352226ac2b4030 100644
--- a/src/SPIN/fix_langevin_spin.cpp
+++ b/src/SPIN/fix_langevin_spin.cpp
@@ -34,7 +34,7 @@
 #include "random_mars.h"
 #include "respa.h"
 #include "update.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp
index 110cfb58d8ad5482addf3b9485747afaea43e38d..0b2e86e4656c1858bd4489fc129911a00f91af91 100644
--- a/src/SPIN/fix_neb_spin.cpp
+++ b/src/SPIN/fix_neb_spin.cpp
@@ -22,7 +22,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_neb_spin.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "universe.h"
diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp
index 9a33f0d61de054062d252c1168904260d034b44e..cbb367e43866814b1ad7d58015d2b800ce182efb 100644
--- a/src/SPIN/fix_precession_spin.cpp
+++ b/src/SPIN/fix_precession_spin.cpp
@@ -22,7 +22,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_precession_spin.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/SPIN/min_spin.cpp b/src/SPIN/min_spin.cpp
index df7fc71f8b48968834f4a71efaf77384ed6b4879..f36f11f2a9eecf641587dd3e2fbcd0d73dcbc5e5 100644
--- a/src/SPIN/min_spin.cpp
+++ b/src/SPIN/min_spin.cpp
@@ -18,17 +18,17 @@
 ------------------------------------------------------------------------- */
 
 #include "min_spin.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "universe.h"
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "output.h"
-#include "timer.h"
 #include "error.h"
 #include "math_const.h"
+#include "output.h"
+#include "timer.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/SPIN/min_spin_cg.cpp b/src/SPIN/min_spin_cg.cpp
index a658713d1bdab1bfaeb8d39c1e344667288dfd38..4b8b74541940c270212b19232a88c3ba47c25cdf 100644
--- a/src/SPIN/min_spin_cg.cpp
+++ b/src/SPIN/min_spin_cg.cpp
@@ -21,25 +21,22 @@
    preprint arXiv:1904.02669.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "min_spin_cg.h"
-#include "universe.h"
+
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
+#include "math_const.h"
+#include "memory.h"
 #include "output.h"
 #include "timer.h"
-#include "error.h"
-#include "memory.h"
-#include "modify.h"
-#include "math_special.h"
-#include "math_const.h"
 #include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/SPIN/min_spin_lbfgs.cpp b/src/SPIN/min_spin_lbfgs.cpp
index f92fc69e0497439c3e8c657f0f9e5caae8016aa8..40029b7e7179ded12b62457950344d53d68eeb56 100644
--- a/src/SPIN/min_spin_lbfgs.cpp
+++ b/src/SPIN/min_spin_lbfgs.cpp
@@ -21,24 +21,22 @@
    preprint arXiv:1904.02669.
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "min_spin_lbfgs.h"
+
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
+#include "math_const.h"
+#include "memory.h"
 #include "output.h"
 #include "timer.h"
-#include "error.h"
-#include "memory.h"
-#include "modify.h"
-#include "math_special.h"
-#include "math_const.h"
 #include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/SPIN/neb_spin.cpp b/src/SPIN/neb_spin.cpp
index 96808b7f104e3fb69e12e3147339db14d1f04720..a89ca403cedb2fa38737ecf27030132dd3aa2f1b 100644
--- a/src/SPIN/neb_spin.cpp
+++ b/src/SPIN/neb_spin.cpp
@@ -22,29 +22,26 @@
 ------------------------------------------------------------------------- */
 
 #include "neb_spin.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "citeme.h"
-#include "force.h"
-#include "universe.h"
+
 #include "atom.h"
-#include "update.h"
-#include "domain.h"
+#include "citeme.h"
 #include "comm.h"
-#include "min.h"
-#include "modify.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
 #include "fix.h"
 #include "fix_neb_spin.h"
+#include "memory.h"
+#include "min.h"
+#include "modify.h"
 #include "output.h"
 #include "thermo.h"
-#include "finish.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "math_const.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SPIN/pair_spin_dipole_cut.cpp b/src/SPIN/pair_spin_dipole_cut.cpp
index 5573d914b73f1ffab1ec9215a662a602814a263a..b27c9736b2ab4a8adba741182ae32e7cc1deeb29 100644
--- a/src/SPIN/pair_spin_dipole_cut.cpp
+++ b/src/SPIN/pair_spin_dipole_cut.cpp
@@ -22,20 +22,17 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_dipole_cut.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "fix.h"
+#include "error.h"
 #include "force.h"
 #include "math_const.h"
 #include "memory.h"
-#include "modify.h"
-#include "error.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/SPIN/pair_spin_dipole_long.cpp b/src/SPIN/pair_spin_dipole_long.cpp
index 4188bb214ce8f5b1fd01141ba90c1c72d4a4cf79..d4b1b8e43ea75791565402b7e14c63828298f058 100644
--- a/src/SPIN/pair_spin_dipole_long.cpp
+++ b/src/SPIN/pair_spin_dipole_long.cpp
@@ -17,21 +17,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_dipole_long.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "fix.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
 #include "math_const.h"
 #include "memory.h"
-#include "modify.h"
-#include "error.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/SPIN/pair_spin_dmi.cpp b/src/SPIN/pair_spin_dmi.cpp
index b4b3fcb6f586ae888cd3b49cef24e76373ea320a..e27f9fad7dd57b19d4533a69084a28d816a4efae 100644
--- a/src/SPIN/pair_spin_dmi.cpp
+++ b/src/SPIN/pair_spin_dmi.cpp
@@ -22,19 +22,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_dmi.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "force.h"
-#include "fix.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index b82dca3dcc8c3a34930b4810cea77a08f17f6261..27da47dd0f782e8262a87ad884da6a434fde6e14 100644
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -22,19 +22,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_exchange.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SPIN/pair_spin_magelec.cpp b/src/SPIN/pair_spin_magelec.cpp
index 50cd1fe54ae9c6b5cc88e0913ee5158842ec4593..2242cf985d5bbfdc008ca8b81b3226f1e5cfe103 100644
--- a/src/SPIN/pair_spin_magelec.cpp
+++ b/src/SPIN/pair_spin_magelec.cpp
@@ -22,19 +22,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_magelec.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SPIN/pair_spin_neel.cpp b/src/SPIN/pair_spin_neel.cpp
index 4468e157b42cee3b3b970de701422fd0d3ba0393..33ea904c0c5eef43d94fe373c826877aa72b1659 100644
--- a/src/SPIN/pair_spin_neel.cpp
+++ b/src/SPIN/pair_spin_neel.cpp
@@ -22,19 +22,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_spin_neel.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "fix.h"
 #include "force.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "modify.h"
-#include "update.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp
index ca0bdbac0a75a7f77ee18b2c8ef9fdf12d71fb2a..688522c1bdb68ce2ff8e9382399e4b1c4a38d9a9 100644
--- a/src/SRD/fix_srd.cpp
+++ b/src/SRD/fix_srd.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_srd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_extra.h"
diff --git a/src/SRD/fix_wall_srd.cpp b/src/SRD/fix_wall_srd.cpp
index 8b9ea6fb795d99a26755e4eb216f12500913d158..8ffd764447b400efdc70466c3487304999815843 100644
--- a/src/SRD/fix_wall_srd.cpp
+++ b/src/SRD/fix_wall_srd.cpp
@@ -12,18 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_srd.h"
-#include <mpi.h>
-#include <cstring>
-#include "fix.h"
+
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
+#include "fix.h"
 #include "input.h"
+#include "lattice.h"
+#include "memory.h"
 #include "modify.h"
 #include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp
index 2165132856446f0f53d750f0d1b01eb0242830bc..dd02676466df5927ae668810391bcc24cbd889a3 100644
--- a/src/USER-ATC/fix_atc.cpp
+++ b/src/USER-ATC/fix_atc.cpp
@@ -12,23 +12,15 @@
    ------------------------------------------------------------------------- */
 
 #include "fix_atc.h"
-#include <cstdio>
-#include <cstring>
-#include <sstream>
-#include "fix_nve.h"
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
-#include "error.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "pointers.h"
 #include "comm.h"
+#include "error.h"
 #include "group.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 
 #include "ATC_Method.h"
-#include "ATC_Transfer.h"
 #include "ATC_TransferKernel.h"
 #include "ATC_TransferPartitionOfUnity.h"
 #include "ATC_CouplingEnergy.h"
@@ -37,6 +29,8 @@
 #include "ATC_CouplingMomentumEnergy.h"
 #include "LammpsInterface.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using std::string;
diff --git a/src/USER-ATC/fix_atc.h b/src/USER-ATC/fix_atc.h
index 2512c658dbc7b7cff2113107bef7c94621e618da..5bf26f6eaac23f18b5b93229f2d89237c153ce64 100644
--- a/src/USER-ATC/fix_atc.h
+++ b/src/USER-ATC/fix_atc.h
@@ -8,7 +8,6 @@ FixStyle(atc,FixATC)
 #define FIX_ATC_H
 
 #include "fix.h"
-#include "pointers.h" // access to lammps pointers
 
 namespace ATC {
   class ATC_Method;
diff --git a/src/USER-AWPMD/atom_vec_wavepacket.cpp b/src/USER-AWPMD/atom_vec_wavepacket.cpp
index 0d11e983ad1fba606ed42b44f8a346abe0b0e193..46b239be08c31a0c5a9d1690bf06010d5f27055e 100644
--- a/src/USER-AWPMD/atom_vec_wavepacket.cpp
+++ b/src/USER-AWPMD/atom_vec_wavepacket.cpp
@@ -16,9 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_wavepacket.h"
-#include <cstring>
+
 #include "atom.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-AWPMD/fix_nve_awpmd.cpp b/src/USER-AWPMD/fix_nve_awpmd.cpp
index 2aa2e7680b2aff32a909b6f31bbfdd0c24a886ed..178f0f42defdbda188e7ef6e67bb90864f2f7635 100644
--- a/src/USER-AWPMD/fix_nve_awpmd.cpp
+++ b/src/USER-AWPMD/fix_nve_awpmd.cpp
@@ -22,7 +22,7 @@
 #include "update.h"
 #include "respa.h"
 #include "error.h"
-#include "utils.h"
+
 
 #include "TCP/wpmd_split.h"
 
diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp
index 4d812852db2af93f1b0da333420e5664225c8af3..5e23b7fc69df54eeb5e6d0ead09dfa289b0c4a04 100644
--- a/src/USER-AWPMD/pair_awpmd_cut.cpp
+++ b/src/USER-AWPMD/pair_awpmd_cut.cpp
@@ -16,29 +16,30 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_awpmd_cut.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <map>
-#include <utility>
+
 #include "atom.h"
-#include "update.h"
-#include "min.h"
-#include "domain.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "memory.h"
+#include "min.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+#include "update.h"
 
 #include "logexc.h"
 #include "vector_3.h"
 #include "TCP/wpmd.h"
 #include "TCP/wpmd_split.h"
 
+#include <cmath>
+#include <cstring>
+#include <map>
+#include <utility>
+#include <vector>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
@@ -237,7 +238,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
       etmap[etag[i]].push_back(i);
     }
     else
-      error->all(FLERR,fmt("Invalid spin value (%d) for particle %d !",spin[i],i));
+      error->all(FLERR,logfmt("Invalid spin value (%d) for particle %d !",spin[i],i));
   }
   // ion force vector
   Vector_3 *fi=NULL;
@@ -254,7 +255,7 @@ void PairAWPMDCut::compute(int eflag, int vflag)
     for(size_t k=0;k<el.size();k++){
       int i=el[k];
       if(spin[el[0]]!=spin[i])
-        error->all(FLERR,fmt("WP splits for one electron should have the same spin (at particles %d, %d)!",el[0],i));
+        error->all(FLERR,logfmt("WP splits for one electron should have the same spin (at particles %d, %d)!",el[0],i));
       double m= atom->mass ? atom->mass[type[i]] : force->e_mass;
       Vector_3 xx=Vector_3(x[i][0],x[i][1],x[i][2]);
       Vector_3 rv=m*Vector_3(v[i][0],v[i][1],v[i][2]);
diff --git a/src/USER-BOCS/compute_pressure_bocs.cpp b/src/USER-BOCS/compute_pressure_bocs.cpp
index 39da9fc23b27bd1bd74a01808df493216ee22b61..a4b8de84bd518bc055839864bdf8f546bf4a3b9d 100644
--- a/src/USER-BOCS/compute_pressure_bocs.cpp
+++ b/src/USER-BOCS/compute_pressure_bocs.cpp
@@ -16,11 +16,6 @@
 
 #include "compute_pressure_bocs.h"
 
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-
 #include "angle.h"
 #include "atom.h"
 #include "bond.h"
@@ -28,15 +23,15 @@
 #include "domain.h"
 #include "error.h"
 #include "fix.h"
-#include "fmt/format.h"
 #include "force.h"
 #include "improper.h"
 #include "kspace.h"
-#include "memory.h"
 #include "modify.h"
 #include "pair.h"
 #include "update.h"
 
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-BOCS/fix_bocs.cpp b/src/USER-BOCS/fix_bocs.cpp
index c61a37388b02215732fea25366a50aaa01d81b60..6f7962c83f6a0fad379c78de50c2e55d7d63e054 100644
--- a/src/USER-BOCS/fix_bocs.cpp
+++ b/src/USER-BOCS/fix_bocs.cpp
@@ -17,7 +17,7 @@
 #include "fix_bocs.h"
 
 #include <cstring>
-#include <cstdlib>
+
 #include <cmath>
 #include <vector>
 
@@ -29,7 +29,7 @@
 #include "domain.h"
 #include "error.h"
 #include "fix_deform.h"
-#include "fmt/format.h"
+
 #include "force.h"
 #include "group.h"
 #include "irregular.h"
diff --git a/src/USER-CGDNA/bond_oxdna_fene.cpp b/src/USER-CGDNA/bond_oxdna_fene.cpp
index cc70f2fb31015574bc4c7c9a7e4a9b6e60bbed93..c9540bf0c070152b7a35b3201c2eb1f45cda31aa 100644
--- a/src/USER-CGDNA/bond_oxdna_fene.cpp
+++ b/src/USER-CGDNA/bond_oxdna_fene.cpp
@@ -15,7 +15,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_oxdna_fene.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
 
diff --git a/src/USER-CGDNA/bond_oxrna2_fene.cpp b/src/USER-CGDNA/bond_oxrna2_fene.cpp
index bdddccda87f8586f6ef58ae1806fb59e2e010ff5..2dee1224d3a5a1c4054659906c458e3c25aea851 100644
--- a/src/USER-CGDNA/bond_oxrna2_fene.cpp
+++ b/src/USER-CGDNA/bond_oxrna2_fene.cpp
@@ -14,8 +14,6 @@
    Contributing author: Oliver Henrich (University of Strathclyde, Glasgow)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdlib>
 #include "bond_oxrna2_fene.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp
index 66871fa64e97a14f5321b27a0403b7b57201d062..17b1fb7b42905ee43257fee5f6d8b4ce904dacd2 100644
--- a/src/USER-CGDNA/fix_nve_dotc_langevin.cpp
+++ b/src/USER-CGDNA/fix_nve_dotc_langevin.cpp
@@ -16,16 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_dotc_langevin.h"
-#include <cmath>
-#include <cstring>
-#include "math_extra.h"
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
-#include "force.h"
-#include "update.h"
 #include "comm.h"
-#include "random_mars.h"
 #include "error.h"
+#include "math_extra.h"
+#include "random_mars.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
index 32ee0ed1451d5f2faa031f6265ca54ca9fec4712..662d55c5900cbe93e68da92d668ed6cc98af6c2f 100644
--- a/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
@@ -15,21 +15,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna2_coaxstk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-CGDNA/pair_oxdna2_dh.cpp b/src/USER-CGDNA/pair_oxdna2_dh.cpp
index 04aaf82ccbdd7f4a3b465ba54bf4c4b1c9c72746..f23ca4fbf71417fe5df67a4d186c9c4f156b48de 100644
--- a/src/USER-CGDNA/pair_oxdna2_dh.cpp
+++ b/src/USER-CGDNA/pair_oxdna2_dh.cpp
@@ -15,19 +15,18 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna2_dh.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
+#include "force.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
index 87f58857bbae514f5b1e8a0f54e3e2a2cfc985bb..f1d425a0b3bd7f7654e57be60cbb4c06c43e1bad 100644
--- a/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_coaxstk.cpp
@@ -15,21 +15,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna_coaxstk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-CGDNA/pair_oxdna_excv.cpp b/src/USER-CGDNA/pair_oxdna_excv.cpp
index 22ed31000382f19cfc7c1e25acc3df105d296d2b..ad96186b6bb247dff90d79d57482319403c88c02 100644
--- a/src/USER-CGDNA/pair_oxdna_excv.cpp
+++ b/src/USER-CGDNA/pair_oxdna_excv.cpp
@@ -15,20 +15,19 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna_excv.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
+#include "force.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MFOxdna;
diff --git a/src/USER-CGDNA/pair_oxdna_hbond.cpp b/src/USER-CGDNA/pair_oxdna_hbond.cpp
index df952d0ff26871fe74d7a6b6ba76438e593ed0e6..7987210d7acc74c8e0bdd0a3f88fead487269f91 100644
--- a/src/USER-CGDNA/pair_oxdna_hbond.cpp
+++ b/src/USER-CGDNA/pair_oxdna_hbond.cpp
@@ -15,20 +15,19 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna_hbond.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
+#include "force.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MFOxdna;
diff --git a/src/USER-CGDNA/pair_oxdna_stk.cpp b/src/USER-CGDNA/pair_oxdna_stk.cpp
index fa9204ed86ce0d127414b20cd208ea0ae0a52038..bf52d61182b1f6441e870975aa694a0bfc378c21 100644
--- a/src/USER-CGDNA/pair_oxdna_stk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_stk.cpp
@@ -15,7 +15,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna_stk.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include <utility>
@@ -26,7 +26,7 @@
 #include "neighbor.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
 
diff --git a/src/USER-CGDNA/pair_oxdna_xstk.cpp b/src/USER-CGDNA/pair_oxdna_xstk.cpp
index 7845451dafa1141140aee9f14bc215ec3f4d2e2d..17514996832283a637c8dbf26fd22e0568407321 100644
--- a/src/USER-CGDNA/pair_oxdna_xstk.cpp
+++ b/src/USER-CGDNA/pair_oxdna_xstk.cpp
@@ -15,21 +15,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxdna_xstk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-CGDNA/pair_oxrna2_excv.cpp b/src/USER-CGDNA/pair_oxrna2_excv.cpp
index 3c0194d636d9b4335f3dc8d105a4a28c8b80071f..af9fdaaaa17513ee95ea4918e4855c9ea03ea3da 100644
--- a/src/USER-CGDNA/pair_oxrna2_excv.cpp
+++ b/src/USER-CGDNA/pair_oxrna2_excv.cpp
@@ -14,12 +14,10 @@
    Contributing author: Oliver Henrich (University of Strathclyde, Glasgow)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_oxrna2_excv.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-CGDNA/pair_oxrna2_stk.cpp b/src/USER-CGDNA/pair_oxrna2_stk.cpp
index 1b6c577a19b73330f28d3268ba6a0c1c9b700fb7..fd02946134ec6e59200365602583eac1ad4544bd 100644
--- a/src/USER-CGDNA/pair_oxrna2_stk.cpp
+++ b/src/USER-CGDNA/pair_oxrna2_stk.cpp
@@ -14,26 +14,22 @@
    Contributing author: Oliver Henrich (University of Strathclyde, Glasgow)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_oxrna2_stk.h"
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "integrate.h"
 #include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
+#include <utility>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-CGDNA/pair_oxrna2_xstk.cpp b/src/USER-CGDNA/pair_oxrna2_xstk.cpp
index 11c2f2b9b13e09087bb6f971a6c1bce0e89bdd14..673ef1c9a38c0e927340c4a93a69f75234561203 100644
--- a/src/USER-CGDNA/pair_oxrna2_xstk.cpp
+++ b/src/USER-CGDNA/pair_oxrna2_xstk.cpp
@@ -15,21 +15,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_oxrna2_xstk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include "mf_oxdna.h"
+
 #include "atom.h"
+#include "atom_vec_ellipsoid.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "atom_vec_ellipsoid.h"
 #include "math_extra.h"
+#include "memory.h"
+#include "mf_oxdna.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-CGSDK/angle_sdk.cpp b/src/USER-CGSDK/angle_sdk.cpp
index d535baeda5dea824f364a417f58c61153cca431c..6f97d2104ff1c8301c23fb946280c2c3bd77112c 100644
--- a/src/USER-CGSDK/angle_sdk.cpp
+++ b/src/USER-CGSDK/angle_sdk.cpp
@@ -19,7 +19,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_sdk.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -30,7 +30,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 #include "lj_sdk_common.h"
 
diff --git a/src/USER-CGSDK/pair_lj_sdk.cpp b/src/USER-CGSDK/pair_lj_sdk.cpp
index cf478e85fbcfd1a0af97e9d1d974a9f9a6bb95a4..8185e2487665f27b29530d054298f0291b2e24bd 100644
--- a/src/USER-CGSDK/pair_lj_sdk.cpp
+++ b/src/USER-CGSDK/pair_lj_sdk.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_sdk.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 #define LMP_NEED_SDK_FIND_LJ_TYPE 1
 #include "lj_sdk_common.h"
diff --git a/src/USER-CGSDK/pair_lj_sdk.h b/src/USER-CGSDK/pair_lj_sdk.h
index ef0263c06bed225b0f13b658b6291e3829a83b68..11c123a72c87a3f04fe325b375a7d761c4919d53 100644
--- a/src/USER-CGSDK/pair_lj_sdk.h
+++ b/src/USER-CGSDK/pair_lj_sdk.h
@@ -27,7 +27,6 @@ PairStyle(lj/sdk,PairLJSDK)
 #include "pair.h"
 
 namespace LAMMPS_NS {
-class LAMMPS;
 
 class PairLJSDK : public Pair {
  public:
diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
index cd02c7f9e1c70d2c5ae07ef6a4f7d69feb20b344..42f1ff3ce7f4329a779db41f7994297a1e6521e4 100644
--- a/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
+++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_sdk_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 #define LMP_NEED_SDK_FIND_LJ_TYPE 1
 #include "lj_sdk_common.h"
diff --git a/src/USER-COLVARS/fix_colvars.cpp b/src/USER-COLVARS/fix_colvars.cpp
index f9e071a0b384eafe94514434ae45324ad4bdecf4..fcbfb58456e6d6d2753eac6c312b94741f3267cb 100644
--- a/src/USER-COLVARS/fix_colvars.cpp
+++ b/src/USER-COLVARS/fix_colvars.cpp
@@ -25,29 +25,26 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_colvars.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <iostream>
-#include <string>
-#include <vector>
-#include <memory>
 
 #include "atom.h"
+#include "citeme.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
 #include "memory.h"
 #include "modify.h"
 #include "respa.h"
 #include "universe.h"
 #include "update.h"
-#include "citeme.h"
 
 #include "colvarproxy_lammps.h"
 #include "colvarmodule.h"
 
+#include <cstring>
+#include <iostream>
+#include <memory>
+#include <vector>
+
 static const char colvars_pub[] =
   "fix colvars command:\n\n"
   "@Article{fiorin13,\n"
diff --git a/src/USER-COLVARS/fix_colvars.h b/src/USER-COLVARS/fix_colvars.h
index 2486446f3546d13163613e5aac0a072d377052b3..fff61ce218baff81bc4e4416321d36f07555f3ec 100644
--- a/src/USER-COLVARS/fix_colvars.h
+++ b/src/USER-COLVARS/fix_colvars.h
@@ -34,7 +34,6 @@ FixStyle(colvars,FixColvars)
 #define LMP_FIX_COLVARS_H
 
 #include "fix.h"
-#include <mpi.h>
 
 class colvarproxy_lammps;
 
diff --git a/src/USER-COLVARS/group_ndx.cpp b/src/USER-COLVARS/group_ndx.cpp
index 1e37e2de9c9d7be83da409b65d0500acb86eed85..07a8ac2d5c332f3b10c15e759f4790113a71aae9 100644
--- a/src/USER-COLVARS/group_ndx.cpp
+++ b/src/USER-COLVARS/group_ndx.cpp
@@ -17,12 +17,11 @@
 ------------------------------------------------------------------------- */
 
 #include "group_ndx.h"
-#include <mpi.h>
-#include <cstdlib>
+
 #include "atom.h"
 #include "comm.h"
-#include "group.h"
 #include "error.h"
+#include "group.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-COLVARS/ndx_group.cpp b/src/USER-COLVARS/ndx_group.cpp
index feab2f22b283d08ca983cd90deb202f0b51be967..bab1592b1ecd728825625774c5cffd713ae5eb76 100644
--- a/src/USER-COLVARS/ndx_group.cpp
+++ b/src/USER-COLVARS/ndx_group.cpp
@@ -17,13 +17,13 @@
 ------------------------------------------------------------------------- */
 
 #include "ndx_group.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "group.h"
 #include "error.h"
+#include "group.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 #define BUFLEN 4096
diff --git a/src/USER-DIFFRACTION/compute_saed.cpp b/src/USER-DIFFRACTION/compute_saed.cpp
index 5dd47b28bd4c86618a32de0847f39c637f2db1df..d16fbf2876335c730b1949a1f3fc310b02324bf7 100644
--- a/src/USER-DIFFRACTION/compute_saed.cpp
+++ b/src/USER-DIFFRACTION/compute_saed.cpp
@@ -15,23 +15,23 @@
    Contributing authors: Shawn Coleman & Douglas Spearot (Arkansas)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "compute_saed.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "math_const.h"
-#include "compute_saed_consts.h"
+
 #include "atom.h"
+#include "citeme.h"
 #include "comm.h"
-#include "update.h"
+#include "compute_saed_consts.h"
 #include "domain.h"
+#include "error.h"
 #include "group.h"
-#include "citeme.h"
+#include "math_const.h"
 #include "memory.h"
-#include "error.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-DIFFRACTION/compute_xrd.cpp b/src/USER-DIFFRACTION/compute_xrd.cpp
index e75546b5483a5fdfa83bbb67f18db401fbe46efb..b48de49c81731d0b78c61c1c6ea3eb10b560b218 100644
--- a/src/USER-DIFFRACTION/compute_xrd.cpp
+++ b/src/USER-DIFFRACTION/compute_xrd.cpp
@@ -16,23 +16,23 @@
    Updated: 06/17/2015-2
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "compute_xrd.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include "math_const.h"
 #include "compute_xrd_consts.h"
+
 #include "atom.h"
+#include "citeme.h"
 #include "comm.h"
-#include "update.h"
 #include "domain.h"
+#include "error.h"
 #include "group.h"
-#include "citeme.h"
+#include "math_const.h"
 #include "memory.h"
-#include "error.h"
+#include "update.h"
 
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.cpp b/src/USER-DIFFRACTION/fix_saed_vtk.cpp
index 0a018338a464c627b96a765273cb43bd50d0612a..39382264c46af74d97516ce15650b235a7f8dc85 100644
--- a/src/USER-DIFFRACTION/fix_saed_vtk.cpp
+++ b/src/USER-DIFFRACTION/fix_saed_vtk.cpp
@@ -17,18 +17,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_saed_vtk.h"
-#include <cstdlib>
-#include <cstring>
-#include <cmath>
-#include "update.h"
-#include "modify.h"
+
 #include "compute.h"
 #include "compute_saed.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
 #include "domain.h"
+#include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
 
+#include <cstring>
+#include <cmath>
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/USER-DPD/compute_dpd.cpp b/src/USER-DPD/compute_dpd.cpp
index 0ef78681646d61578e76df265788d413f454b6f3..97e12d5cb4b90ded6472605ca4cdf03f5837ab08 100644
--- a/src/USER-DPD/compute_dpd.cpp
+++ b/src/USER-DPD/compute_dpd.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_dpd.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-DPD/fix_eos_cv.cpp b/src/USER-DPD/fix_eos_cv.cpp
index bd0e334ffcd7ed8024f314da653bb9be8c540cf0..db9b877b1cd3bc0264c5665669232fe64560ead0 100644
--- a/src/USER-DPD/fix_eos_cv.cpp
+++ b/src/USER-DPD/fix_eos_cv.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_eos_cv.h"
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-DPD/fix_eos_table.cpp b/src/USER-DPD/fix_eos_table.cpp
index 69e53369457703f0edf73edebade141e53c7b61b..57cfe03dc8dd1eac7bbdd2ae321efcaf2b1edeb1 100644
--- a/src/USER-DPD/fix_eos_table.cpp
+++ b/src/USER-DPD/fix_eos_table.cpp
@@ -16,14 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_eos_table.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
 #include "memory.h"
-#include "utils.h"
+
+#include <cstring>
 
 #define MAXLINE 1024
 
diff --git a/src/USER-DPD/fix_eos_table_rx.cpp b/src/USER-DPD/fix_eos_table_rx.cpp
index d728f7e98737db50bd4598b2395ead089d08fc69..c220d84a576954a9337af36797ceac0a6e2e2e9b 100644
--- a/src/USER-DPD/fix_eos_table_rx.cpp
+++ b/src/USER-DPD/fix_eos_table_rx.cpp
@@ -16,8 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_eos_table_rx.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include <cmath>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "memory.h"
 #include "comm.h"
 #include "modify.h"
-#include "utils.h"
+
 
 #define MAXLINE 1024
 
diff --git a/src/USER-DPD/fix_rx.cpp b/src/USER-DPD/fix_rx.cpp
index ced7283ef401b902f4465949109ba607a565fcd1..d974d12473d471ee0a3b023dae4ff835f6d61da0 100644
--- a/src/USER-DPD/fix_rx.cpp
+++ b/src/USER-DPD/fix_rx.cpp
@@ -12,8 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rx.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include <cmath>
 #include <cfloat> // DBL_EPSILON
@@ -31,7 +31,7 @@
 #include "neigh_request.h"
 #include "math_special.h"
 #include "pair_dpd_fdt_energy.h"
-#include "utils.h"
+
 
 #include <vector> // std::vector<>
 #include <algorithm> // std::max
diff --git a/src/USER-DPD/fix_shardlow.cpp b/src/USER-DPD/fix_shardlow.cpp
index 18c86976ac266363ab9479b1c25f48b5b625dacf..c4480a037334c1ba3bffb47bbe457fdb0df01df5 100644
--- a/src/USER-DPD/fix_shardlow.cpp
+++ b/src/USER-DPD/fix_shardlow.cpp
@@ -34,27 +34,26 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_shardlow.h"
-#include <cstdlib>
-#include <cstring>
-#include <cmath>
-#include <stdint.h>
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "error.h"
+#include "citeme.h"
 #include "comm.h"
-#include "neighbor.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "memory.h"
+#include "modify.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "npair.h"
-#include "memory.h"
-#include "domain.h"
-#include "modify.h"
+#include "npair_half_bin_newton_ssa.h"
 #include "pair_dpd_fdt.h"
 #include "pair_dpd_fdt_energy.h"
-#include "npair_half_bin_newton_ssa.h"
-#include "citeme.h"
-#include "utils.h"
+#include "update.h"
+
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-DPD/pair_dpd_fdt.cpp b/src/USER-DPD/pair_dpd_fdt.cpp
index 876d76a42f971f9d68bb145ab3349de76e49a9d5..1d3d952e9f2040a36f2a6ec983400c3f01fee786 100644
--- a/src/USER-DPD/pair_dpd_fdt.cpp
+++ b/src/USER-DPD/pair_dpd_fdt.cpp
@@ -16,21 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_dpd_fdt.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "random_mars.h"
 #include "memory.h"
 #include "modify.h"
-#include "error.h"
-#include "utils.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+#include "random_mars.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-DPD/pair_dpd_fdt_energy.cpp b/src/USER-DPD/pair_dpd_fdt_energy.cpp
index 3686bcb7e93b3ee01df0e8297757d031c584b251..b843e4601af48c5227ef6bcb2933da61cf42587b 100644
--- a/src/USER-DPD/pair_dpd_fdt_energy.cpp
+++ b/src/USER-DPD/pair_dpd_fdt_energy.cpp
@@ -16,21 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_dpd_fdt_energy.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "random_mars.h"
 #include "memory.h"
 #include "modify.h"
-#include "error.h"
-#include "utils.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+#include "random_mars.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-DPD/pair_exp6_rx.cpp b/src/USER-DPD/pair_exp6_rx.cpp
index 839d22b50b32c18f80751665828eb8152441bb69..666a1b0ea95d58d4bb0afedf68f76174317cac85 100644
--- a/src/USER-DPD/pair_exp6_rx.cpp
+++ b/src/USER-DPD/pair_exp6_rx.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_exp6_rx.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <cfloat>
 #include "atom.h"
@@ -24,7 +24,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "modify.h"
 #include "fix.h"
 
diff --git a/src/USER-DPD/pair_multi_lucy.cpp b/src/USER-DPD/pair_multi_lucy.cpp
index f9074d5c056423957c67f829f213bae66c6d2eaf..ceb5c78eaf88853e22c3c7f8425b59b982618997 100644
--- a/src/USER-DPD/pair_multi_lucy.cpp
+++ b/src/USER-DPD/pair_multi_lucy.cpp
@@ -21,10 +21,10 @@
    The Journal of Chemical Physics, 2016, 144, 104501.
 ------------------------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
 #include "math_const.h"
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_multi_lucy.h"
 #include "atom.h"
@@ -33,9 +33,9 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "citeme.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-DPD/pair_multi_lucy_rx.cpp b/src/USER-DPD/pair_multi_lucy_rx.cpp
index 90f6dc6170e30b71ebb2b0457415f4a66c26951f..d769d94783b1fcaa6ced3f9872f08d1a838caa28 100644
--- a/src/USER-DPD/pair_multi_lucy_rx.cpp
+++ b/src/USER-DPD/pair_multi_lucy_rx.cpp
@@ -21,10 +21,10 @@
    The Journal of Chemical Physics, 2016, 144, 104501.
 ------------------------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
 #include "math_const.h"
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_multi_lucy_rx.h"
 #include "atom.h"
@@ -33,11 +33,11 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "citeme.h"
 #include "modify.h"
 #include "fix.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-DPD/pair_table_rx.cpp b/src/USER-DPD/pair_table_rx.cpp
index 56c3e28c468eb31cc332702bb45109ec5a9f570f..f791107f1d84909778d1ca8d23720fbf0a9d51a2 100644
--- a/src/USER-DPD/pair_table_rx.cpp
+++ b/src/USER-DPD/pair_table_rx.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_table_rx.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "error.h"
 #include "modify.h"
 #include "fix.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-DRUDE/compute_temp_drude.cpp b/src/USER-DRUDE/compute_temp_drude.cpp
index a12c248680593046b1f3dca27fd5595484248268..b806b4434bf896b810b83a100e7987d60b861524 100644
--- a/src/USER-DRUDE/compute_temp_drude.cpp
+++ b/src/USER-DRUDE/compute_temp_drude.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_drude.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-DRUDE/fix_drude.cpp b/src/USER-DRUDE/fix_drude.cpp
index 080408459c754863f6f9054a18e98f2791a05a2d..313ac249d7fadb79d612b2542dd621612270b6d5 100644
--- a/src/USER-DRUDE/fix_drude.cpp
+++ b/src/USER-DRUDE/fix_drude.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_drude.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <map>
 #include "atom.h"
diff --git a/src/USER-DRUDE/fix_drude_transform.cpp b/src/USER-DRUDE/fix_drude_transform.cpp
index 4128c508d69fd75a94a793c916f20587a99eb9be..bdccaaebc845c201703c9acd062a868775483f91 100644
--- a/src/USER-DRUDE/fix_drude_transform.cpp
+++ b/src/USER-DRUDE/fix_drude_transform.cpp
@@ -13,7 +13,7 @@
 
 /** Fix Drude Transform ******************************************************/
 #include "fix_drude_transform.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "fix_drude.h"
diff --git a/src/USER-DRUDE/fix_langevin_drude.cpp b/src/USER-DRUDE/fix_langevin_drude.cpp
index e865e9cd29255d2a457efa6e8b52d0ec605783ec..da745108217ccfac16bbf72671270a8b28e370fd 100644
--- a/src/USER-DRUDE/fix_langevin_drude.cpp
+++ b/src/USER-DRUDE/fix_langevin_drude.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_langevin_drude.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "fix_drude.h"
diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
index 875b4a9cbaf883f21935af86a8ab9c01cb7ac0c8..461f972885a1bb01ca029d933ea5c5d1d9811238 100644
--- a/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
+++ b/src/USER-DRUDE/pair_lj_cut_thole_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_thole_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "fix_drude.h"
@@ -29,7 +29,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "modify.h"
 #include "domain.h"
 
diff --git a/src/USER-DRUDE/pair_thole.cpp b/src/USER-DRUDE/pair_thole.cpp
index 882fd047a92321ada64837d169bc29a6e996dba7..281317c0764e69bd445c40405861aaee4c8c3528 100644
--- a/src/USER-DRUDE/pair_thole.cpp
+++ b/src/USER-DRUDE/pair_thole.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_thole.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "fix.h"
 #include "fix_drude.h"
 #include "domain.h"
diff --git a/src/USER-EFF/atom_vec_electron.cpp b/src/USER-EFF/atom_vec_electron.cpp
index 0912fb0498ace947cd997b1cc256f475cf8c3a6a..65923d2e7517b4d089babdb478903ae240d7e600 100644
--- a/src/USER-EFF/atom_vec_electron.cpp
+++ b/src/USER-EFF/atom_vec_electron.cpp
@@ -16,10 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_electron.h"
-#include <cstring>
+
 #include "atom.h"
 #include "citeme.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-EFF/compute_ke_atom_eff.cpp b/src/USER-EFF/compute_ke_atom_eff.cpp
index c943366f1b3f414cc2ff5575347a32cacacdb01e..001e1d4c4309af9c869feb4aa3ffb414645f824d 100644
--- a/src/USER-EFF/compute_ke_atom_eff.cpp
+++ b/src/USER-EFF/compute_ke_atom_eff.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
-#include <cstdlib>
+
 #include "compute_ke_atom_eff.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-EFF/compute_ke_eff.cpp b/src/USER-EFF/compute_ke_eff.cpp
index 3e277fc66c4b7e0d2e4ee8acb47bf56f3dc496a9..d1781b75f70001017125088309a796a1708c14ed 100644
--- a/src/USER-EFF/compute_ke_eff.cpp
+++ b/src/USER-EFF/compute_ke_eff.cpp
@@ -15,8 +15,8 @@
    Contributing author: Andres Jaramillo-Botero
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include "compute_ke_eff.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-EFF/compute_temp_deform_eff.cpp b/src/USER-EFF/compute_temp_deform_eff.cpp
index dcf7e8623451bf8d5f0e12b185551df394cc45ec..90e25ca3c813ed08061599161a3378051f12c195 100644
--- a/src/USER-EFF/compute_temp_deform_eff.cpp
+++ b/src/USER-EFF/compute_temp_deform_eff.cpp
@@ -15,9 +15,9 @@
    Contributing author: Andres Jaramillo-Botero (Caltech)
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cstring>
-#include <cstdlib>
+
 #include "compute_temp_deform_eff.h"
 #include "domain.h"
 #include "atom.h"
diff --git a/src/USER-EFF/compute_temp_eff.cpp b/src/USER-EFF/compute_temp_eff.cpp
index e9295ea6804606a692aad3b363c16f3724882128..174f032b83c5f9faaaa6c257ef23cbc6a6eb302f 100644
--- a/src/USER-EFF/compute_temp_eff.cpp
+++ b/src/USER-EFF/compute_temp_eff.cpp
@@ -16,8 +16,8 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_eff.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/USER-EFF/compute_temp_region_eff.cpp b/src/USER-EFF/compute_temp_region_eff.cpp
index b27699cde94b6e655ffd6987e6d62ed5d9d45048..c95cf0de2df4f34f79439bfe5708fada47e7e3f0 100644
--- a/src/USER-EFF/compute_temp_region_eff.cpp
+++ b/src/USER-EFF/compute_temp_region_eff.cpp
@@ -15,9 +15,9 @@
    Contributing author: Andres Jaramillo-Botero (Caltech)
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cstring>
-#include <cstdlib>
+
 #include "compute_temp_region_eff.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-EFF/fix_langevin_eff.cpp b/src/USER-EFF/fix_langevin_eff.cpp
index 5158d7c68122c0ef55357df370f287818256ef2f..3966bc7b9847315263d15b9cc597809bad4263a7 100644
--- a/src/USER-EFF/fix_langevin_eff.cpp
+++ b/src/USER-EFF/fix_langevin_eff.cpp
@@ -15,9 +15,9 @@
    Contributing author: Andres Jaramillo-Botero
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include "fix_langevin_eff.h"
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-EFF/fix_nh_eff.cpp b/src/USER-EFF/fix_nh_eff.cpp
index 034233732ec7b415adbf1fcc44b7a1fa40f13788..d5b574510c4f146f3db58c3b36fbe06e2bb11d46 100644
--- a/src/USER-EFF/fix_nh_eff.cpp
+++ b/src/USER-EFF/fix_nh_eff.cpp
@@ -15,10 +15,10 @@
    Contributing author: Andres Jaramillo-Botero (Caltech)
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
+
 #include "fix_nh_eff.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "error.h"
 #include "domain.h"
 
diff --git a/src/USER-EFF/fix_nve_eff.cpp b/src/USER-EFF/fix_nve_eff.cpp
index ea719c91c02f6592bd445cff4f17818ecc85e0ee..f32a45fd469019ddc99fa21fdefb3a6bd63dd20a 100644
--- a/src/USER-EFF/fix_nve_eff.cpp
+++ b/src/USER-EFF/fix_nve_eff.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
-#include <cstdlib>
+
 #include "fix_nve_eff.h"
 #include "atom.h"
 #include "force.h"
diff --git a/src/USER-EFF/fix_nvt_sllod_eff.cpp b/src/USER-EFF/fix_nvt_sllod_eff.cpp
index 0ebbf04d642a93fe82cf54319c5a87a649728848..02a463b3ba3d5300320bcae072f33c02f9fe3f27 100644
--- a/src/USER-EFF/fix_nvt_sllod_eff.cpp
+++ b/src/USER-EFF/fix_nvt_sllod_eff.cpp
@@ -13,7 +13,7 @@
 
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "fix_nvt_sllod_eff.h"
 #include "math_extra.h"
 #include "atom.h"
diff --git a/src/USER-EFF/fix_temp_rescale_eff.cpp b/src/USER-EFF/fix_temp_rescale_eff.cpp
index e2163990bd999cf865781dee2bf152b8323545cb..a013270049ad870e389652cb0716fc66f48d0f4a 100644
--- a/src/USER-EFF/fix_temp_rescale_eff.cpp
+++ b/src/USER-EFF/fix_temp_rescale_eff.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
-#include <cstdlib>
+
 #include <cmath>
 #include "fix_temp_rescale_eff.h"
 #include "atom.h"
diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp
index b9b442ed2af21673efbfb033d9a638c8f6253b2c..f4e7af65848b404c23068bfb0ec1bc42a58fed85 100644
--- a/src/USER-EFF/pair_eff_cut.cpp
+++ b/src/USER-EFF/pair_eff_cut.cpp
@@ -15,9 +15,9 @@
    Contributing author: Andres Jaramillo-Botero
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_eff_cut.h"
 #include "pair_eff_inline.h"
@@ -31,7 +31,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/compute_fep.cpp b/src/USER-FEP/compute_fep.cpp
index 488a85fc209bd2c610e04d3b6b9b7df7230772ff..ff1e303a305290f10aea1cc51c1c3c028aa6cfc9 100644
--- a/src/USER-FEP/compute_fep.cpp
+++ b/src/USER-FEP/compute_fep.cpp
@@ -18,7 +18,7 @@
 #include "compute_fep.h"
 #include <cstring>
 #include <cmath>
-#include <mpi.h>
+
 #include "comm.h"
 #include "update.h"
 #include "atom.h"
@@ -34,7 +34,7 @@
 #include "timer.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/fix_adapt_fep.cpp b/src/USER-FEP/fix_adapt_fep.cpp
index f88f2b6c40ea0859c4f4e235962f66ee437106d1..2f97b5a0e381c415eee6177435610bc6f70ba4cb 100644
--- a/src/USER-FEP/fix_adapt_fep.cpp
+++ b/src/USER-FEP/fix_adapt_fep.cpp
@@ -32,7 +32,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp
index fd5141525c43c45437a681f4e9d4d40828b85199..b0a099a56f0b8c1cbb5314d29b3a5e9dd5257ac8 100644
--- a/src/USER-FEP/pair_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_coul_cut_soft.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_cut_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp
index 39e06ddd60ca96c3c634d1cfc3d5d281cbae1af4..80173f3f0f9fafe51897646ef17b9a3b74858ca6 100644
--- a/src/USER-FEP/pair_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_coul_long_soft.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
index f9149c8fb8330e100ce1202d39fbd73a2e86c5d4..e13b98329f971e1ad28de2c3f44874490a1a885a 100644
--- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_charmm_coul_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
index f1aa99b416e6b20e82205429526d99b8cb3f6c42..bfd5a630f67657cfe36048cd788ca41cdcad6ed2 100644
--- a/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2_coul_cut_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -23,7 +23,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
index 19c41f04cb1bc03630ccee9b3e3746b6e4e0ea79..e027a3018548f4bfb58d070a1b1f0d46af4a697a 100644
--- a/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_coul_long_soft.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2_coul_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -24,7 +24,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_class2_soft.cpp b/src/USER-FEP/pair_lj_class2_soft.cpp
index 3c1869da0848f410c626d1d6efe1c9abef08e404..0cd1fc9e87f97b751c728ce3e4dc216a7c692801 100644
--- a/src/USER-FEP/pair_lj_class2_soft.cpp
+++ b/src/USER-FEP/pair_lj_class2_soft.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_class2_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
index 4a92a6fcef6403241b0ccc8b8e2d85ba6d28e68b..a18256f98a79becd1ff8bc4bef4e6b4e250756eb 100644
--- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_cut_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
index 56cf31b9d33778176daebb499a18cea269a70f32..4b3fae77b37aa9167780bef606f615f49db3ba69 100644
--- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -32,7 +32,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp
index 2ab677c454c68e4831564d79bb9c6388bb7e38c0..786715d6c992f87582642feb77fc8d353e5c4d13 100644
--- a/src/USER-FEP/pair_lj_cut_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_soft.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
index 35342f68d805319992ee89ee98ca8d52cfacf0f4..18f8db5021580f451192588491133eebda55d1b2 100644
--- a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
+++ b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_tip4p_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "angle.h"
@@ -31,7 +31,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-FEP/pair_morse_soft.cpp b/src/USER-FEP/pair_morse_soft.cpp
index 904799e1d39e8973f39974a071fa9aa43964260b..85a30a5414fb2fe1c7d14acfa2565b8501f782a6 100644
--- a/src/USER-FEP/pair_morse_soft.cpp
+++ b/src/USER-FEP/pair_morse_soft.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_morse_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "memory.h"
 #include "math_special.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/USER-FEP/pair_tip4p_long_soft.cpp b/src/USER-FEP/pair_tip4p_long_soft.cpp
index fa130a9dc639300a5160a1818e05c7f8b5917162..9578befd3785146577286b1fd29cd25659ab5ca1 100644
--- a/src/USER-FEP/pair_tip4p_long_soft.cpp
+++ b/src/USER-FEP/pair_tip4p_long_soft.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tip4p_long_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "angle.h"
@@ -31,7 +31,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-H5MD/dump_h5md.cpp b/src/USER-H5MD/dump_h5md.cpp
index 0c07e844cbc1baf6876e4eba8d8c7e07476a15ab..e9daf71867dc811722464750d25820ca4cc8923f 100644
--- a/src/USER-H5MD/dump_h5md.cpp
+++ b/src/USER-H5MD/dump_h5md.cpp
@@ -17,7 +17,7 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include <climits>
 #include "ch5md.h"
diff --git a/src/USER-INTEL/angle_charmm_intel.cpp b/src/USER-INTEL/angle_charmm_intel.cpp
index 9275e82f1c98528d1f02efb9aa52d92e27d1400f..7aad7f754a09060cca9586ee7c7cc7dfd37f5a66 100644
--- a/src/USER-INTEL/angle_charmm_intel.cpp
+++ b/src/USER-INTEL/angle_charmm_intel.cpp
@@ -15,20 +15,21 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstdlib>
 #include "angle_charmm_intel.h"
+
 #include "atom.h"
-#include "neighbor.h"
-#include "domain.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "modify.h"
 #include "math_const.h"
 #include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/angle_harmonic_intel.cpp b/src/USER-INTEL/angle_harmonic_intel.cpp
index 49a71038dafcba324da350dcdffcd7247b50e08d..290f7320b13932e1d0d58c8c93d7187438bf646f 100644
--- a/src/USER-INTEL/angle_harmonic_intel.cpp
+++ b/src/USER-INTEL/angle_harmonic_intel.cpp
@@ -15,20 +15,21 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstdlib>
 #include "angle_harmonic_intel.h"
+
 #include "atom.h"
-#include "neighbor.h"
-#include "domain.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "modify.h"
 #include "math_const.h"
 #include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/bond_fene_intel.cpp b/src/USER-INTEL/bond_fene_intel.cpp
index 5c58e7bf10f08b5a03a6f9d4176fa1841a066d85..6b458aeefb1e091ffd9cda86298dfa22ac99107a 100644
--- a/src/USER-INTEL/bond_fene_intel.cpp
+++ b/src/USER-INTEL/bond_fene_intel.cpp
@@ -15,19 +15,21 @@
    Contributing author: Stan Moore (Sandia)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstdlib>
+
 #include "bond_fene_intel.h"
+
 #include "atom.h"
-#include "modify.h"
-#include "neighbor.h"
-#include "domain.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/bond_harmonic_intel.cpp b/src/USER-INTEL/bond_harmonic_intel.cpp
index 8bf0a82218562f9148d18f77addbbc86e6e76d14..84d94b8f3d86f42a5fa5241ac2c44b1b867051e3 100644
--- a/src/USER-INTEL/bond_harmonic_intel.cpp
+++ b/src/USER-INTEL/bond_harmonic_intel.cpp
@@ -15,19 +15,20 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstdlib>
 #include "bond_harmonic_intel.h"
+
 #include "atom.h"
-#include "modify.h"
-#include "neighbor.h"
-#include "domain.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/dihedral_charmm_intel.cpp b/src/USER-INTEL/dihedral_charmm_intel.cpp
index 61fc1dfbd548a77d1baffbca8f4bba19216db5ea..ddfa0c122807ce9523f85879435bf9e32070f463 100644
--- a/src/USER-INTEL/dihedral_charmm_intel.cpp
+++ b/src/USER-INTEL/dihedral_charmm_intel.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "omp_compat.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "dihedral_charmm_intel.h"
 #include "atom.h"
diff --git a/src/USER-INTEL/dihedral_fourier_intel.cpp b/src/USER-INTEL/dihedral_fourier_intel.cpp
index fb8051474e64453ce8fa7e2257468a0902eec9dc..67b82b62bf01cea76ad5c9addcec60e970ed2882 100644
--- a/src/USER-INTEL/dihedral_fourier_intel.cpp
+++ b/src/USER-INTEL/dihedral_fourier_intel.cpp
@@ -15,22 +15,22 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cmath>
 #include "dihedral_fourier_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
 #include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
+#include "suffix.h"
 #include "update.h"
-#include "error.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
+
 using namespace LAMMPS_NS;
 
 #define PTOLERANCE (flt_t)1.05
diff --git a/src/USER-INTEL/dihedral_harmonic_intel.cpp b/src/USER-INTEL/dihedral_harmonic_intel.cpp
index f6c4ea0fdeb7425095c839a7590c8a6b0489f40e..ea9bc33c57d4654b504f8535f1a11bc2244e3624 100644
--- a/src/USER-INTEL/dihedral_harmonic_intel.cpp
+++ b/src/USER-INTEL/dihedral_harmonic_intel.cpp
@@ -15,22 +15,22 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cmath>
 #include "dihedral_harmonic_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
 #include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
+#include "suffix.h"
 #include "update.h"
-#include "error.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
+
 using namespace LAMMPS_NS;
 
 #define PTOLERANCE (flt_t)1.05
diff --git a/src/USER-INTEL/dihedral_opls_intel.cpp b/src/USER-INTEL/dihedral_opls_intel.cpp
index 79a8874a722c044061c87f9283188eb2ac3dc979..fa8fd53defac5e15ad6a4aead4f356d06669b06b 100644
--- a/src/USER-INTEL/dihedral_opls_intel.cpp
+++ b/src/USER-INTEL/dihedral_opls_intel.cpp
@@ -15,22 +15,22 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cmath>
 #include "dihedral_opls_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
 #include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
+#include "suffix.h"
 #include "update.h"
-#include "error.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
+
 using namespace LAMMPS_NS;
 
 #define PTOLERANCE (flt_t)1.05
diff --git a/src/USER-INTEL/fix_intel.cpp b/src/USER-INTEL/fix_intel.cpp
index 7bd510b1899d1d9026179bc46d79459c4b4a05d5..eacbc7ddcc2b2531845cb4db9977d46ae4c36b9f 100644
--- a/src/USER-INTEL/fix_intel.cpp
+++ b/src/USER-INTEL/fix_intel.cpp
@@ -16,8 +16,8 @@
                         Anupama Kurpad (Intel) - Host Affinitization
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "fix_intel.h"
+
 #include "comm.h"
 #include "error.h"
 #include "force.h"
@@ -25,16 +25,9 @@
 #include "neigh_request.h"
 #include "pair.h"
 #include "pair_hybrid.h"
-#include "pair_hybrid_overlay.h"
-#include "timer.h"
-#include "universe.h"
 #include "update.h"
-#include "utils.h"
 
 #include <cstring>
-#include <cstdlib>
-#include <cstdio>
-#include <cmath>
 
 #ifdef _LMP_INTEL_OFFLOAD
 #ifndef INTEL_OFFLOAD_NOAFFINITY
diff --git a/src/USER-INTEL/fix_nh_intel.cpp b/src/USER-INTEL/fix_nh_intel.cpp
index a072e823a467aa2bb9f84eeeea682695616af17f..2122bfd370998a706dcaaad733bda0de8931dfa5 100644
--- a/src/USER-INTEL/fix_nh_intel.cpp
+++ b/src/USER-INTEL/fix_nh_intel.cpp
@@ -16,12 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nh_intel.h"
+
 #include "atom.h"
-#include "compute.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"
-#include "kspace.h"
 #include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
@@ -29,7 +28,6 @@
 
 #include <cstring>
 #include <cmath>
-#include <cstdio>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-INTEL/fix_nve_asphere_intel.cpp b/src/USER-INTEL/fix_nve_asphere_intel.cpp
index 7eeb8a163557ef9c8521bffea5090a5ff4879601..55e51227f46dc8ef0965e7d797071716eb34565d 100644
--- a/src/USER-INTEL/fix_nve_asphere_intel.cpp
+++ b/src/USER-INTEL/fix_nve_asphere_intel.cpp
@@ -15,18 +15,16 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstring>
 #include "fix_nve_asphere_intel.h"
-#include "math_extra_intel.h"
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
+#include "error.h"
 #include "force.h"
+#include "math_extra_intel.h"
+#include "memory.h"
 #include "neighbor.h"
 #include "update.h"
-#include "memory.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-INTEL/fix_nvt_sllod_intel.cpp b/src/USER-INTEL/fix_nvt_sllod_intel.cpp
index f5a5dabfb1dc42a4ad098f5c9fc5cdca179f325e..4382542710fe850916011f09cf94c6c3e75cbd6d 100644
--- a/src/USER-INTEL/fix_nvt_sllod_intel.cpp
+++ b/src/USER-INTEL/fix_nvt_sllod_intel.cpp
@@ -11,18 +11,19 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstring>
 #include "fix_nvt_sllod_intel.h"
-#include "math_extra.h"
+
 #include "atom.h"
+#include "compute.h"
 #include "domain.h"
-#include "group.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_deform.h"
-#include "compute.h"
-#include "error.h"
+#include "group.h"
+#include "math_extra.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-INTEL/improper_cvff_intel.cpp b/src/USER-INTEL/improper_cvff_intel.cpp
index 4562c63cdbe9e3c69bb793cdbb851e9c00a5b412..ba5ff79cd55e346cfd6a9875f128f8bcf208e817 100644
--- a/src/USER-INTEL/improper_cvff_intel.cpp
+++ b/src/USER-INTEL/improper_cvff_intel.cpp
@@ -15,22 +15,22 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
 #include "improper_cvff_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "math_const.h"
 #include "memory.h"
 #include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+#include "update.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/improper_harmonic_intel.cpp b/src/USER-INTEL/improper_harmonic_intel.cpp
index fc5cf08c529666e24adb587dbecf16046bb334b9..8da3c67022ab5dae52d92a92acf6cb4173c6c2f4 100644
--- a/src/USER-INTEL/improper_harmonic_intel.cpp
+++ b/src/USER-INTEL/improper_harmonic_intel.cpp
@@ -15,22 +15,23 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
+
 #include "improper_harmonic_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "math_const.h"
 #include "memory.h"
 #include "modify.h"
+#include "neighbor.h"
 #include "suffix.h"
-#include "error.h"
+#include "update.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/intel_buffers.cpp b/src/USER-INTEL/intel_buffers.cpp
index 04791dee78eef3d4dfb6e5e6e093bbc1ca53bfbf..dc5b0fad5a633d0f9f026e3282500a7499f07fd8 100644
--- a/src/USER-INTEL/intel_buffers.cpp
+++ b/src/USER-INTEL/intel_buffers.cpp
@@ -12,8 +12,8 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "intel_buffers.h"
+
 #include "force.h"
 #include "memory.h"
 
diff --git a/src/USER-INTEL/nbin_intel.cpp b/src/USER-INTEL/nbin_intel.cpp
index 78c62463896da17104f53e0dd31f84c9372cb1cc..4a046bc845e36ac8af7838dc194581a4e8b99364 100644
--- a/src/USER-INTEL/nbin_intel.cpp
+++ b/src/USER-INTEL/nbin_intel.cpp
@@ -16,13 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "nbin_intel.h"
+
 #include "atom.h"
-#include "group.h"
 #include "comm.h"
-#include "domain.h"
+#include "error.h"
+#include "group.h"
 #include "modify.h"
 #include "update.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
index 00b032d49513d512b8bc67dbcebfefb53e7fa2f3..bd4a95f77467402fe3d14bacaeb6f6dbf2b1c351 100644
--- a/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
+++ b/src/USER-INTEL/npair_full_bin_ghost_intel.cpp
@@ -16,15 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_full_bin_ghost_intel.h"
-#include "neighbor.h"
-#include "nstencil.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "comm.h"
-#include "domain.h"
-#include "molecule.h"
 #include "error.h"
+#include "molecule.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_full_bin_intel.cpp b/src/USER-INTEL/npair_full_bin_intel.cpp
index 4ef84be75ff0cffadce6e5afb54408e58c65dd98..c4433ba16cbe9bfeb85c109857f28d3e3619ab8d 100644
--- a/src/USER-INTEL/npair_full_bin_intel.cpp
+++ b/src/USER-INTEL/npair_full_bin_intel.cpp
@@ -16,12 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_full_bin_intel.h"
-#include "neighbor.h"
-#include "neigh_list.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "domain.h"
-#include "group.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_half_bin_newton_intel.cpp b/src/USER-INTEL/npair_half_bin_newton_intel.cpp
index 799ba2b57b67e26e88b8a9a959a23d5fbd4a8167..55bac4cdb7e94aa2276788854d93b976a76031dd 100644
--- a/src/USER-INTEL/npair_half_bin_newton_intel.cpp
+++ b/src/USER-INTEL/npair_half_bin_newton_intel.cpp
@@ -16,12 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_bin_newton_intel.h"
-#include "neighbor.h"
-#include "neigh_list.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "domain.h"
-#include "group.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp b/src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp
index 1f859cb5f1bc821202ceb80271d4e336c3772fd0..d5384904e5b4c57d67167c4b336550cdc31a8df5 100644
--- a/src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp
+++ b/src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp
@@ -16,12 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_half_bin_newton_tri_intel.h"
-#include "neighbor.h"
-#include "neigh_list.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "domain.h"
-#include "group.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_halffull_newton_intel.cpp b/src/USER-INTEL/npair_halffull_newton_intel.cpp
index 8248f2257ae4f9df7c7d04ff6892071437d5d512..dd11802797c949e08ff6c7234d3261258c8642af 100644
--- a/src/USER-INTEL/npair_halffull_newton_intel.cpp
+++ b/src/USER-INTEL/npair_halffull_newton_intel.cpp
@@ -16,16 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_halffull_newton_intel.h"
-#include "neighbor.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "comm.h"
+#include "error.h"
 #include "modify.h"
-#include "molecule.h"
-#include "domain.h"
 #include "my_page.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_intel.cpp b/src/USER-INTEL/npair_intel.cpp
index f7a233efc9791f88dad47180fd893af20068a42f..9aae0d27b788a0340359348b6a24fca136399d95 100644
--- a/src/USER-INTEL/npair_intel.cpp
+++ b/src/USER-INTEL/npair_intel.cpp
@@ -15,13 +15,13 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
+#include "npair_intel.h"
+
 #include "comm.h"
 #include "domain.h"
-#include "timer.h"
 #include "modify.h"
-#include "npair_intel.h"
-#include "nstencil.h"
+
+#include "omp_compat.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/npair_intel.h b/src/USER-INTEL/npair_intel.h
index 6d4e01462f5684c28daf3ccfc7a13aae056884a9..e040a1d8f3e94cc86a09b5b7404187d68b4e4a2e 100644
--- a/src/USER-INTEL/npair_intel.h
+++ b/src/USER-INTEL/npair_intel.h
@@ -15,6 +15,7 @@
 #define LMP_NPAIR_INTEL_H
 
 #include "npair.h"
+#include "domain.h"
 #include "fix_intel.h"
 
 #if defined(_OPENMP)
diff --git a/src/USER-INTEL/npair_skip_intel.cpp b/src/USER-INTEL/npair_skip_intel.cpp
index fa202d5da1ab604fa26c725ab14c1eae6e037b59..df09829c8600a1e62633e27197cd62d5cd838d1a 100644
--- a/src/USER-INTEL/npair_skip_intel.cpp
+++ b/src/USER-INTEL/npair_skip_intel.cpp
@@ -16,17 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "npair_skip_intel.h"
-#include "neighbor.h"
-#include "neigh_list.h"
+
 #include "atom.h"
-#include "atom_vec.h"
 #include "comm.h"
+#include "error.h"
 #include "modify.h"
-#include "molecule.h"
-#include "neigh_request.h"
-#include "domain.h"
 #include "my_page.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/pair_airebo_intel.cpp b/src/USER-INTEL/pair_airebo_intel.cpp
index c1e4a5374a2205e23b905479df0625a9b95b721e..6b576220fe074d5498c153e6bb67a420fc9448e1 100644
--- a/src/USER-INTEL/pair_airebo_intel.cpp
+++ b/src/USER-INTEL/pair_airebo_intel.cpp
@@ -15,41 +15,37 @@
    Contributing author: Markus Hohnerbach (RWTH)
 ------------------------------------------------------------------------- */
 
-#ifdef __INTEL_OFFLOAD
-#pragma offload_attribute(push, target(mic))
-#endif
-#include <unistd.h>
-#include <cstdlib>
-#include <cstring>
-#include <cmath>
-#include <cstdio>
-#include <stdint.h> // <cstdint> requires C++-11
+#include "pair_airebo_intel.h"
+
+#include "atom.h"
+#include "comm.h"
+#include "error.h"
+#include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "suffix.h"
+
 #include <cassert>
-#include <cstddef>
-#include "lmptype.h"
+#include <cmath>
+#include <cstring>
+
 #include "intel_preprocess.h"
 #include "intel_intrinsics_airebo.h"
+
 #ifdef __INTEL_OFFLOAD
 #pragma offload_attribute(pop)
 #endif
 
+#ifdef __INTEL_OFFLOAD
+#pragma offload_attribute(push, target(mic))
+#endif
+
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
-#include "pair_airebo_intel.h"
-#include "atom.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "force.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
-#include "group.h"
-#include "kspace.h"
-#include "modify.h"
-#include "suffix.h"
-#include "math_const.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/pair_airebo_morse_intel.cpp b/src/USER-INTEL/pair_airebo_morse_intel.cpp
index f68e299fa0ed22867ca586f7a876b1f49d36d430..a99ab913ba681e3abb494da12fac9299c4cc7098 100644
--- a/src/USER-INTEL/pair_airebo_morse_intel.cpp
+++ b/src/USER-INTEL/pair_airebo_morse_intel.cpp
@@ -16,7 +16,6 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_airebo_morse_intel.h"
-#include "error.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
index 4ad4398fbe6373ceefe935a77807d64d131234ca..a67db0ad327a8c4b35f962f7a63e66fd50552cb2 100644
--- a/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
+++ b/src/USER-INTEL/pair_buck_coul_cut_intel.cpp
@@ -17,7 +17,7 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_buck_coul_cut_intel.h"
 #include "atom.h"
diff --git a/src/USER-INTEL/pair_buck_coul_long_intel.cpp b/src/USER-INTEL/pair_buck_coul_long_intel.cpp
index 150cfd3ee07f9b53bc058394d849cb580df985e6..d0cb1837c90ba28adf99bbe3ba6660d9e4207a2e 100644
--- a/src/USER-INTEL/pair_buck_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_buck_coul_long_intel.cpp
@@ -17,7 +17,7 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_buck_coul_long_intel.h"
 #include "atom.h"
diff --git a/src/USER-INTEL/pair_buck_intel.cpp b/src/USER-INTEL/pair_buck_intel.cpp
index b21ce13a3423b301ff38f476d0b90e8553ab1abf..bb5b44d2609ad20f17b75c73dcd3d3d358175c12 100644
--- a/src/USER-INTEL/pair_buck_intel.cpp
+++ b/src/USER-INTEL/pair_buck_intel.cpp
@@ -15,20 +15,20 @@
    Contributing author: Rodrigo Canales (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_buck_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "group.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
+#include "error.h"
 #include "math_const.h"
 #include "memory.h"
-#include "suffix.h"
-#include "force.h"
 #include "modify.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "suffix.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-INTEL/pair_eam_alloy_intel.cpp b/src/USER-INTEL/pair_eam_alloy_intel.cpp
index 31430e4bf71c68215703a82ee1176487c7bc3c76..084714daf4bad388f364e20cb0e8b6f4d9789b6d 100644
--- a/src/USER-INTEL/pair_eam_alloy_intel.cpp
+++ b/src/USER-INTEL/pair_eam_alloy_intel.cpp
@@ -15,18 +15,16 @@
    Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL)
 ------------------------------------------------------------------------- */
 
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_eam_alloy_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/pair_eam_fs_intel.cpp b/src/USER-INTEL/pair_eam_fs_intel.cpp
index c5804922f6c676b27f7b938934352682efe626e1..8786c0d782289e9000afab8fa0bb2be5d919f7b4 100644
--- a/src/USER-INTEL/pair_eam_fs_intel.cpp
+++ b/src/USER-INTEL/pair_eam_fs_intel.cpp
@@ -15,18 +15,16 @@
    Contributing authors: Tim Lau (MIT)
 ------------------------------------------------------------------------- */
 
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_eam_fs_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-INTEL/pair_eam_intel.cpp b/src/USER-INTEL/pair_eam_intel.cpp
index 994f0d3910123f26ad03b512b44e9e2c0af245c3..561621a388e58f2d5e1842051bcf1ac1e74f6c86 100644
--- a/src/USER-INTEL/pair_eam_intel.cpp
+++ b/src/USER-INTEL/pair_eam_intel.cpp
@@ -15,22 +15,22 @@
    Contributing authors: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_eam_intel.h"
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
+#include "error.h"
+#include "force.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
+#include "neighbor.h"
 #include "suffix.h"
 
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define MAXLINE 1024
diff --git a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
index ff8a9869b7ad606832cd0537c2fdff1f6c76b13e..c8e4a3d0efaedbce0b77e76af36d0745d83ebf2c 100644
--- a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
+++ b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp
@@ -12,19 +12,22 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_charmm_coul_charmm_intel.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "group.h"
 #include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
 #include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define LJ_T typename IntelBuffers<flt_t,flt_t>::vec4_t
diff --git a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
index 243c7f577d36f2e22ef3feadd86d4d33d0e5eedd..34ab97fd35747863368988fb58d90748714353d4 100644
--- a/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
@@ -12,20 +12,21 @@
    Contributing author: W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_cut_coul_long_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "group.h"
 #include "kspace.h"
 #include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 #define C_FORCE_T typename ForceConst<flt_t>::c_force_t
diff --git a/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp b/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp
index 8b9670f41917df66487a1b53dad343f96f59e9dc..533252d018d674f7b7136a78bf2c125d1e699be8 100644
--- a/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp
+++ b/src/USER-INTEL/pair_lj_long_coul_long_intel.cpp
@@ -15,21 +15,16 @@
    Contributing authors: William McDoniel (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "pair_lj_long_coul_long_intel.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "group.h"
-#include "kspace.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
+#include "neighbor.h"
 #include "suffix.h"
 
-
 using namespace LAMMPS_NS;
 
 #define C_FORCE_T typename ForceConst<flt_t>::c_force_t
diff --git a/src/USER-INTEL/pair_sw_intel.cpp b/src/USER-INTEL/pair_sw_intel.cpp
index 32afcbf8a99a08f5ac74a1ac46218d880f4651d8..4ec2af40b00b21ac2a714b9e46c508e52f8fd568 100644
--- a/src/USER-INTEL/pair_sw_intel.cpp
+++ b/src/USER-INTEL/pair_sw_intel.cpp
@@ -17,6 +17,19 @@
 
 #include "pair_sw_intel.h"
 
+#include "atom.h"
+#include "comm.h"
+#include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "neighbor.h"
+#include "suffix.h"
+
+#include <cstring>
+
 #ifdef _LMP_INTEL_OFFLOAD
 #pragma offload_attribute(push,target(mic))
 #endif
@@ -25,21 +38,6 @@
 #pragma offload_attribute(pop)
 #endif
 
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
-#include "atom.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "force.h"
-#include "comm.h"
-#include "memory.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
-#include "modify.h"
-#include "suffix.h"
 
 #ifdef LMP_USE_AVXCD
 #include "intel_simd.h"
diff --git a/src/USER-INTEL/pair_tersoff_intel.cpp b/src/USER-INTEL/pair_tersoff_intel.cpp
index 878402932061e2a727c2f7212e0dcacd7a936dbf..75f5f85f2dcbff87f873f7e38eddb4d40857ead1 100644
--- a/src/USER-INTEL/pair_tersoff_intel.cpp
+++ b/src/USER-INTEL/pair_tersoff_intel.cpp
@@ -17,7 +17,7 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_tersoff_intel.h"
 #include "atom.h"
diff --git a/src/USER-INTEL/pppm_disp_intel.cpp b/src/USER-INTEL/pppm_disp_intel.cpp
index 270299b4c5b3267ca0705f04fef3e0cdacda4d7c..1149c9b2c35753d536b756f8e275175f75076a43 100644
--- a/src/USER-INTEL/pppm_disp_intel.cpp
+++ b/src/USER-INTEL/pppm_disp_intel.cpp
@@ -15,23 +15,23 @@
    Contributing authors: William McDoniel (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cmath>
 #include "pppm_disp_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "modify.h"
-#include "fft3d_wrap.h"
 #include "gridcomm.h"
 #include "math_const.h"
 #include "math_special.h"
 #include "memory.h"
+#include "modify.h"
 #include "suffix.h"
 
+#include <cmath>
+
+#include "omp_compat.h"
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-INTEL/pppm_intel.cpp b/src/USER-INTEL/pppm_intel.cpp
index 26af974086037ee091a3f18a99173449d1841e47..d596df44900541f20b26ebc87d2ed6001cfec960 100644
--- a/src/USER-INTEL/pppm_intel.cpp
+++ b/src/USER-INTEL/pppm_intel.cpp
@@ -18,23 +18,24 @@
                          W. Michael Brown (Intel)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cmath>
 #include "pppm_intel.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "modify.h"
-#include "fft3d_wrap.h"
 #include "gridcomm.h"
 #include "math_const.h"
 #include "math_special.h"
 #include "memory.h"
+#include "modify.h"
 #include "suffix.h"
 
+#include <cstdlib>
+#include <cmath>
+
+#include "omp_compat.h"
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-LB/fix_lb_fluid.cpp b/src/USER-LB/fix_lb_fluid.cpp
index 8ad3dbe33e64619fc61579eb735edad7f9e45b0e..204a9c073b5945ff4ca707b74e5d548d8fe4cbea 100644
--- a/src/USER-LB/fix_lb_fluid.cpp
+++ b/src/USER-LB/fix_lb_fluid.cpp
@@ -18,8 +18,8 @@
 
 #include "fix_lb_fluid.h"
 #include <cmath>
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include <algorithm>
 #include <utility>
diff --git a/src/USER-LB/fix_lb_momentum.cpp b/src/USER-LB/fix_lb_momentum.cpp
index 10fffed0189c833dab7e106a0bd92cfd32a392bd..0a307790d530c107e5364024e0b0c191cbf6afda 100644
--- a/src/USER-LB/fix_lb_momentum.cpp
+++ b/src/USER-LB/fix_lb_momentum.cpp
@@ -19,8 +19,8 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_lb_momentum.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include "atom.h"
 #include "group.h"
diff --git a/src/USER-LB/fix_lb_pc.cpp b/src/USER-LB/fix_lb_pc.cpp
index d61692419a1bd3ef51512c661d2783adb13a04af..2c7e8dbf4768a5f5cee3f486b2376f63bfc524a7 100644
--- a/src/USER-LB/fix_lb_pc.cpp
+++ b/src/USER-LB/fix_lb_pc.cpp
@@ -26,7 +26,7 @@
 #include "domain.h"
 #include "fix_lb_fluid.h"
 #include "modify.h"
-#include <mpi.h>
+
 #include "group.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp
index 9cc03591fa6373d516b19e61c0452f10f4664bfd..f714e317193dad2f3eba654a859003e712121e26 100644
--- a/src/USER-LB/fix_lb_rigid_pc_sphere.cpp
+++ b/src/USER-LB/fix_lb_rigid_pc_sphere.cpp
@@ -17,9 +17,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_lb_rigid_pc_sphere.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "domain.h"
@@ -31,7 +31,7 @@
 #include "memory.h"
 #include "error.h"
 #include "fix_lb_fluid.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MANIFOLD/fix_manifoldforce.cpp b/src/USER-MANIFOLD/fix_manifoldforce.cpp
index 41074903bdd9eb53d04e09bdd99bac25d4104bd4..732ba0909e3d58fc024831c26e2569e9b12d5184 100644
--- a/src/USER-MANIFOLD/fix_manifoldforce.cpp
+++ b/src/USER-MANIFOLD/fix_manifoldforce.cpp
@@ -12,17 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_manifoldforce.h"  // For stuff
-#include <mpi.h>
-#include <cstring>
-#include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "error.h"
-#include "force.h"
 
 #include "manifold.h"
 #include "manifold_factory.h"   // For constructing manifold
 
+#include "atom.h"
+#include "error.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
index 2baa2944aef77b34ffd8561b80ddb7803b8d6e87..b3122a68d4036d380b1833ee0ba11cc5d8a03dd1 100644
--- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
+++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
@@ -33,7 +33,7 @@
 
 
 #include "fix_nve_manifold_rattle.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
diff --git a/src/USER-MANIFOLD/manifold_gaussian_bump.cpp b/src/USER-MANIFOLD/manifold_gaussian_bump.cpp
index b9b7ae7279851f09ab37c705f49bbf1b0298e4cc..ef269992950e8ea49fbc34a66b05621c4eb8f0da 100644
--- a/src/USER-MANIFOLD/manifold_gaussian_bump.cpp
+++ b/src/USER-MANIFOLD/manifold_gaussian_bump.cpp
@@ -3,6 +3,8 @@
 #include "comm.h"
 #include "error.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace user_manifold;
 
diff --git a/src/USER-MEAMC/meam.h b/src/USER-MEAMC/meam.h
index b4f8fd341ba931e321350c38ad8e8c2614362946..b974ce5bc834e249f34092dd61c280f33dc38258 100644
--- a/src/USER-MEAMC/meam.h
+++ b/src/USER-MEAMC/meam.h
@@ -1,9 +1,23 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
 #ifndef LMP_MEAM_H
 #define LMP_MEAM_H
 
+#include "math_const.h"         // IWYU pragma: export
+
 #include <cmath>
 #include <cstring>
-#include "math_const.h"
 
 #define maxelt 5
 
diff --git a/src/USER-MEAMC/meam_dens_final.cpp b/src/USER-MEAMC/meam_dens_final.cpp
index fe9e74ca7cf6690ab3050b8249f4a8b1bb45a6f3..02c461e6b760581e4316304dc6f30a5e956955c1 100644
--- a/src/USER-MEAMC/meam_dens_final.cpp
+++ b/src/USER-MEAMC/meam_dens_final.cpp
@@ -1,3 +1,15 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MEAMC/meam_dens_init.cpp b/src/USER-MEAMC/meam_dens_init.cpp
index 39e3ff94679710438ca5426ece1b73f6ca43c50f..7a5ee7a6518aebb5bf08a6e9976dc59287f8a32c 100644
--- a/src/USER-MEAMC/meam_dens_init.cpp
+++ b/src/USER-MEAMC/meam_dens_init.cpp
@@ -1,7 +1,21 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
-#include <cmath>
-#include "memory.h"
+
 #include "math_special.h"
+#include "memory.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MEAMC/meam_force.cpp b/src/USER-MEAMC/meam_force.cpp
index 2b6832e155a34fdd57ea5015cea6424541aeab5c..eba4f79ea914c48ce3a2b3309c6a83f6c2f2d885 100644
--- a/src/USER-MEAMC/meam_force.cpp
+++ b/src/USER-MEAMC/meam_force.cpp
@@ -1,11 +1,24 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
+
+#include "math_special.h"
+
 #include <cmath>
 #include <algorithm>
-#include "math_special.h"
 
 using namespace LAMMPS_NS;
 
-
 void
 MEAM::meam_force(int i, int eflag_either, int eflag_global, int eflag_atom, int vflag_atom, double* eng_vdwl,
                  double* eatom, int /*ntype*/, int* type, int* fmap, double** scale, double** x, int numneigh, int* firstneigh,
diff --git a/src/USER-MEAMC/meam_funcs.cpp b/src/USER-MEAMC/meam_funcs.cpp
index 706075ffd0183c9902a7c0d1b3ebd2f35befff6b..0a632bc40afbf57ea4c90cd54d98e5ea1c23fdb3 100644
--- a/src/USER-MEAMC/meam_funcs.cpp
+++ b/src/USER-MEAMC/meam_funcs.cpp
@@ -16,7 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "meam.h"
+
 #include "math_special.h"
+
 #include <cmath>
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MEAMC/meam_impl.cpp b/src/USER-MEAMC/meam_impl.cpp
index 0a0b95e14a05c735c6637dd4bc6436c308961928..a546aa0c7f1498c5cae0379cf0c667342939b544 100644
--- a/src/USER-MEAMC/meam_impl.cpp
+++ b/src/USER-MEAMC/meam_impl.cpp
@@ -16,9 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "meam.h"
-#include <cstddef>
+
 #include "memory.h"
 
+#include <cstddef>
+
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-MEAMC/meam_setup_done.cpp b/src/USER-MEAMC/meam_setup_done.cpp
index 25f1bb9e81d93e6159138511f752684e1db28bfe..ddbb40310c7af08bb39c12e61f647f23f8184e4e 100644
--- a/src/USER-MEAMC/meam_setup_done.cpp
+++ b/src/USER-MEAMC/meam_setup_done.cpp
@@ -1,9 +1,23 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
+
+#include "math_special.h"
+#include "memory.h"
+
 #include <cmath>
 #include <cstddef>
 #include <algorithm>
-#include "math_special.h"
-#include "memory.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MEAMC/meam_setup_global.cpp b/src/USER-MEAMC/meam_setup_global.cpp
index 60264b87cb2c82b14cc9f229206b82a2d3f9f5ee..93b866a14f5189e63f6fe026e79825d99898a24b 100644
--- a/src/USER-MEAMC/meam_setup_global.cpp
+++ b/src/USER-MEAMC/meam_setup_global.cpp
@@ -1,5 +1,19 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
 #include "meam.h"
+
 #include <cmath>
+
 using namespace LAMMPS_NS;
 
 template <typename TYPE, int maxi, int maxj>
diff --git a/src/USER-MEAMC/meam_setup_param.cpp b/src/USER-MEAMC/meam_setup_param.cpp
index f0e04ff1c091f855e6f503662e793cfc467c1c52..f2c44504dee48aaff07d18af888d2bf5d4f1cd27 100644
--- a/src/USER-MEAMC/meam_setup_param.cpp
+++ b/src/USER-MEAMC/meam_setup_param.cpp
@@ -1,5 +1,22 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
 #include "meam.h"
+
+#include "math_const.h"
 #include <algorithm>
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-MEAMC/pair_meamc.cpp b/src/USER-MEAMC/pair_meamc.cpp
index f40df56c19b6458bdb100d7785c9717d973bdb0a..6f674c9f4526c458a80b76bcbec6b94fae41a26d 100644
--- a/src/USER-MEAMC/pair_meamc.cpp
+++ b/src/USER-MEAMC/pair_meamc.cpp
@@ -16,10 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_meamc.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
-#include <string>
+
 #include "meam.h"
 #include "atom.h"
 #include "force.h"
@@ -29,8 +29,8 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MEAMC/pair_meamc.h b/src/USER-MEAMC/pair_meamc.h
index 21e44e7ff2538fbe2fa26f85f2a76e789523975d..9cbda8f6ad07b8e42d6bc0b5607e8a774f8c696d 100644
--- a/src/USER-MEAMC/pair_meamc.h
+++ b/src/USER-MEAMC/pair_meamc.h
@@ -22,7 +22,7 @@ PairStyle(meam,PairMEAMC)
 #define LMP_PAIR_MEAMC_H
 
 #include "pair.h"
-#include <string>
+
 
 namespace LAMMPS_NS {
 
diff --git a/src/USER-MESODPD/atom_vec_edpd.cpp b/src/USER-MESODPD/atom_vec_edpd.cpp
index d08a626fad6e6ccf3e62e3661b9e0bc668e0669b..1542c73604aab773caed196faf33a877b1a08c3a 100644
--- a/src/USER-MESODPD/atom_vec_edpd.cpp
+++ b/src/USER-MESODPD/atom_vec_edpd.cpp
@@ -12,16 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_edpd.h"
-#include <cstring>
+
 #include "atom.h"
-#include "comm.h"
-#include "domain.h"
+#include "error.h"
 #include "modify.h"
-#include "fix.h"
 #include "update.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/atom_vec_tdpd.cpp b/src/USER-MESODPD/atom_vec_tdpd.cpp
index f50fe168d6e0dc8548d669dfcd5b1825c70e7163..63b88f921d6134291ba6a43ef69419e9aa37177e 100644
--- a/src/USER-MESODPD/atom_vec_tdpd.cpp
+++ b/src/USER-MESODPD/atom_vec_tdpd.cpp
@@ -16,7 +16,7 @@
 #include "atom.h"
 #include "update.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/compute_tdpd_cc_atom.cpp b/src/USER-MESODPD/compute_tdpd_cc_atom.cpp
index bc02c93e1ad866cd0b7deaf2a0d9ba0b7f326b4a..7e9d5eb29e6cdf0a1625b6b5a40cd969705f1fc5 100644
--- a/src/USER-MESODPD/compute_tdpd_cc_atom.cpp
+++ b/src/USER-MESODPD/compute_tdpd_cc_atom.cpp
@@ -11,15 +11,16 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-#include <cstring>
 #include "compute_tdpd_cc_atom.h"
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/fix_edpd_source.cpp b/src/USER-MESODPD/fix_edpd_source.cpp
index 9d31e5f410c3d4db75cc5a219fc581aa1c30caf3..c84f2f29a23b24cc1234067966f54b2fa07e17da 100644
--- a/src/USER-MESODPD/fix_edpd_source.cpp
+++ b/src/USER-MESODPD/fix_edpd_source.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_edpd_source.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MESODPD/fix_tdpd_source.cpp b/src/USER-MESODPD/fix_tdpd_source.cpp
index 7c19d78b1fffe1a7ddc9c735a215b4a23a423d72..440c5055fb7fab94d29ea281b06d10f4e2b5e50b 100644
--- a/src/USER-MESODPD/fix_tdpd_source.cpp
+++ b/src/USER-MESODPD/fix_tdpd_source.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tdpd_source.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MESODPD/pair_edpd.cpp b/src/USER-MESODPD/pair_edpd.cpp
index 60a437a47c2f4a3f8c8e91589cff234fac186d0b..9c2e74b8823cdd555f84e441f17e4e0e538e1442 100644
--- a/src/USER-MESODPD/pair_edpd.cpp
+++ b/src/USER-MESODPD/pair_edpd.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_edpd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <ctime>
 #include <cstring>
@@ -31,7 +31,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/pair_mdpd.cpp b/src/USER-MESODPD/pair_mdpd.cpp
index 755008f44310e075f7eebd1085c00c430fab0ced..88b6724a03a2c60adae5284f9b56f3bd5bf42032 100644
--- a/src/USER-MESODPD/pair_mdpd.cpp
+++ b/src/USER-MESODPD/pair_mdpd.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mdpd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <ctime>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/pair_mdpd_rhosum.cpp b/src/USER-MESODPD/pair_mdpd_rhosum.cpp
index bfbc6f7c82493e1dc33f61896644d5431aa91fea..2f25177b0a31579c75013b00de80d613797e0403 100644
--- a/src/USER-MESODPD/pair_mdpd_rhosum.cpp
+++ b/src/USER-MESODPD/pair_mdpd_rhosum.cpp
@@ -20,16 +20,16 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mdpd_rhosum.h"
-#include <cmath>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
+#include "error.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
 #include "neighbor.h"
-#include "utils.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESODPD/pair_tdpd.cpp b/src/USER-MESODPD/pair_tdpd.cpp
index face9221d969ff9dce09d9949e0be7f5cfb08424..65a518c07e525e6675952a708f46de520eac2b26 100644
--- a/src/USER-MESODPD/pair_tdpd.cpp
+++ b/src/USER-MESODPD/pair_tdpd.cpp
@@ -29,7 +29,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESONT/compute_mesont.cpp b/src/USER-MESONT/compute_mesont.cpp
index 397b071a1be4a1a718c493766d383102dde3c88e..96792c8988710fe1c2dbfb9752fbc9470ad87194 100644
--- a/src/USER-MESONT/compute_mesont.cpp
+++ b/src/USER-MESONT/compute_mesont.cpp
@@ -23,7 +23,7 @@
 #include "memory.h"
 #include "error.h"
 #include "pair.h"
-#include <string>
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MESONT/pair_mesocnt.cpp b/src/USER-MESONT/pair_mesocnt.cpp
index 4af8a99d6f6b66ff89901aada7ad9bdeebba7793..96d53bd41a641890c932b5c6ff96b55965f0275a 100644
--- a/src/USER-MESONT/pair_mesocnt.cpp
+++ b/src/USER-MESONT/pair_mesocnt.cpp
@@ -20,9 +20,9 @@
 
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
-#include <string>
+
 
 #include "atom.h"
 #include "comm.h"
@@ -33,8 +33,8 @@
 #include "memory.h"
 #include "error.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 #include "math_const.h"
 #include "math_extra.h"
diff --git a/src/USER-MESONT/pair_mesont_tpm.cpp b/src/USER-MESONT/pair_mesont_tpm.cpp
index 9fb0f604c82cee8047a754cae8bae33111fe1bc2..6d8c8126ae29f8e53859e34cfcdee3850bfb96e9 100644
--- a/src/USER-MESONT/pair_mesont_tpm.cpp
+++ b/src/USER-MESONT/pair_mesont_tpm.cpp
@@ -16,7 +16,7 @@
 #include "pair_mesont_tpm.h"
 #include "export_mesont.h"
 
-#include <mpi.h>
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
@@ -29,7 +29,7 @@
 #include <cstring>
 #include <vector>
 #include <cmath>
-#include <string>
+
 #include <fstream>
 #include <sstream>
 #include <algorithm>
diff --git a/src/USER-MGPT/pair_mgpt.cpp b/src/USER-MGPT/pair_mgpt.cpp
index e7ab62608ada9165225e9efdae12a816653d69ac..070e3cb61e24c3dce8ab266505518a97b1632a63 100644
--- a/src/USER-MGPT/pair_mgpt.cpp
+++ b/src/USER-MGPT/pair_mgpt.cpp
@@ -22,9 +22,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mgpt.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <cassert>
 
diff --git a/src/USER-MISC/angle_cosine_shift.cpp b/src/USER-MISC/angle_cosine_shift.cpp
index 2ed1a8567282dede28b15475f058d2318024e922..a986cb83220d4042f3ea4ad2597dae2b17ce5d3f 100644
--- a/src/USER-MISC/angle_cosine_shift.cpp
+++ b/src/USER-MISC/angle_cosine_shift.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_shift.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/angle_cosine_shift_exp.cpp b/src/USER-MISC/angle_cosine_shift_exp.cpp
index fb1cc0a4e6887612627f57e3cd266765dfe773f4..52bfe751f14a77c008014e68a4294a443816f1d3 100644
--- a/src/USER-MISC/angle_cosine_shift_exp.cpp
+++ b/src/USER-MISC/angle_cosine_shift_exp.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_shift_exp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/angle_dipole.cpp b/src/USER-MISC/angle_dipole.cpp
index 6e449fe4720e069de1687ad35efa0ef7771ef89c..336638f25d6c0ccae74a84e75805e5dfa94ca0cf 100644
--- a/src/USER-MISC/angle_dipole.cpp
+++ b/src/USER-MISC/angle_dipole.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_dipole.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/angle_fourier.cpp b/src/USER-MISC/angle_fourier.cpp
index 5f34be8d65ebc535396b232ff905abee6d17d457..907ee973bde9f5d7fec4a7377e6457a04d51b535 100644
--- a/src/USER-MISC/angle_fourier.cpp
+++ b/src/USER-MISC/angle_fourier.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_fourier.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/angle_fourier_simple.cpp b/src/USER-MISC/angle_fourier_simple.cpp
index cddc07da9028c24aaf3ce2745f8be4def288be3e..8894f7b4c9199cb0dec9d1929827ef6bc98aba6e 100644
--- a/src/USER-MISC/angle_fourier_simple.cpp
+++ b/src/USER-MISC/angle_fourier_simple.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_fourier_simple.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/angle_quartic.cpp b/src/USER-MISC/angle_quartic.cpp
index c84739ac914082e5a3a774ee127354b10c36ed80..93f45f9562b2cd0ba293344d8520c4233423bd8d 100644
--- a/src/USER-MISC/angle_quartic.cpp
+++ b/src/USER-MISC/angle_quartic.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_quartic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/bond_harmonic_shift.cpp b/src/USER-MISC/bond_harmonic_shift.cpp
index dd2c1a1524d9455097d2a03aac466148d0c92b42..5889400b978fdf0b4ab9c4cea08ac8583a748ad4 100644
--- a/src/USER-MISC/bond_harmonic_shift.cpp
+++ b/src/USER-MISC/bond_harmonic_shift.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_harmonic_shift.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/bond_harmonic_shift_cut.cpp b/src/USER-MISC/bond_harmonic_shift_cut.cpp
index 2cbfa01c0ad68bf8c04679b88a355003b64744f6..86e6263f93374ad1f9a6d64d2d480ef741c989b5 100644
--- a/src/USER-MISC/bond_harmonic_shift_cut.cpp
+++ b/src/USER-MISC/bond_harmonic_shift_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_harmonic_shift_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/bond_special.cpp b/src/USER-MISC/bond_special.cpp
index ebbdcb1899344ecc1cfea664c85426e03c6b51fe..87671655b1980d8506eb2a0c09f009c63fd2ebe1 100644
--- a/src/USER-MISC/bond_special.cpp
+++ b/src/USER-MISC/bond_special.cpp
@@ -13,19 +13,15 @@
    Contributing Author: David Nicholson (MIT)
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
 #include "bond_special.h"
+
 #include "atom.h"
-#include "neighbor.h"
-#include "domain.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+#include "pair.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/bond_special.h b/src/USER-MISC/bond_special.h
index 389990b1d7969671fb808c9eeee35e6a196e1681..d5e360ca537920abe5866f5556be42abf53fccb0 100644
--- a/src/USER-MISC/bond_special.h
+++ b/src/USER-MISC/bond_special.h
@@ -22,7 +22,6 @@ BondStyle(special,BondSpecial)
 #ifndef LMP_BOND_SPECIAL_H
 #define LMP_BOND_SPECIAL_H
 
-#include <cstdio>
 #include "bond.h"
 
 namespace LAMMPS_NS {
diff --git a/src/USER-MISC/compute_cnp_atom.cpp b/src/USER-MISC/compute_cnp_atom.cpp
index fdce944034a064b228001e98b3fbb58112de35bc..52656ec9d68138efdb04c4e73a7dba6b11cdea30 100644
--- a/src/USER-MISC/compute_cnp_atom.cpp
+++ b/src/USER-MISC/compute_cnp_atom.cpp
@@ -22,7 +22,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_cnp_atom.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "atom.h"
diff --git a/src/USER-MISC/compute_hma.cpp b/src/USER-MISC/compute_hma.cpp
index ccecf43aaf4ad1bef997daba65dc2e7588122f0a..f2ccf2694de3db2d14353164393a67b180dfa792 100644
--- a/src/USER-MISC/compute_hma.cpp
+++ b/src/USER-MISC/compute_hma.cpp
@@ -43,33 +43,30 @@ properties of crystals by molecular simulation”, Phys. Rev. E 92, 043303 (2015
 https://doi.org/10.1103/PhysRevE.92.043303
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstring>
-#include <mpi.h>
 #include "compute_hma.h"
+
+#include "angle.h"
 #include "atom.h"
-#include "update.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
-#include "improper.h"
-#include "kspace.h"
-#include "group.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_store.h"
+#include "force.h"
+#include "group.h"
+#include "improper.h"
+#include "kspace.h"
 #include "memory.h"
-#include "error.h"
-#include "comm.h"
-#include "neighbor.h"
-#include "neigh_request.h"
+#include "modify.h"
 #include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "update.h"
 
-#include <vector>
-
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/compute_momentum.cpp b/src/USER-MISC/compute_momentum.cpp
index 541b52d9c04014ca81771d61caeaa7df4de69d8e..f1c35993e378431a7a4164ea3abcfca9a2fd0c67 100644
--- a/src/USER-MISC/compute_momentum.cpp
+++ b/src/USER-MISC/compute_momentum.cpp
@@ -1,6 +1,6 @@
 
 #include "compute_momentum.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "error.h"
 #include "update.h"
diff --git a/src/USER-MISC/compute_pressure_cylinder.cpp b/src/USER-MISC/compute_pressure_cylinder.cpp
index 8346bd3410101904d08001991ae52b0783b4541f..6cf375dd19d4f512b6dadc478cc75db40e89ea08 100644
--- a/src/USER-MISC/compute_pressure_cylinder.cpp
+++ b/src/USER-MISC/compute_pressure_cylinder.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pressure_cylinder.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-MISC/compute_stress_mop.cpp b/src/USER-MISC/compute_stress_mop.cpp
index 1e42a9df029720922184afc8fdf01e91f8c3e03f..c733c929ba4583244656f4a836475c2d012cd05c 100644
--- a/src/USER-MISC/compute_stress_mop.cpp
+++ b/src/USER-MISC/compute_stress_mop.cpp
@@ -16,7 +16,7 @@
   --------------------------------------------------------------------------*/
 
 #include "compute_stress_mop.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 
diff --git a/src/USER-MISC/compute_stress_mop_profile.cpp b/src/USER-MISC/compute_stress_mop_profile.cpp
index 022840166f6d5fe33d5ded2fc525eb67643a8440..323aee851ee50bc96eb67dc1b378a332784ff000 100644
--- a/src/USER-MISC/compute_stress_mop_profile.cpp
+++ b/src/USER-MISC/compute_stress_mop_profile.cpp
@@ -16,7 +16,7 @@
   --------------------------------------------------------------------------*/
 
 #include "compute_stress_mop_profile.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 
diff --git a/src/USER-MISC/compute_temp_rotate.cpp b/src/USER-MISC/compute_temp_rotate.cpp
index 94c6115186176b84ba035b874327e5990611ef02..c333357a93df328eba2b60415047fc7f4a42b44d 100644
--- a/src/USER-MISC/compute_temp_rotate.cpp
+++ b/src/USER-MISC/compute_temp_rotate.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_rotate.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/USER-MISC/compute_viscosity_cos.cpp b/src/USER-MISC/compute_viscosity_cos.cpp
index 7311f991ccdbfe737ba1e19424e2d73e4a520fb5..dae93a8d81a02bf35e39edb1be3d07218d047357 100644
--- a/src/USER-MISC/compute_viscosity_cos.cpp
+++ b/src/USER-MISC/compute_viscosity_cos.cpp
@@ -15,17 +15,18 @@
    Contributing author: Zheng GONG (ENS de Lyon, z.gong@outlook.com)
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
 #include "compute_viscosity_cos.h"
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
 #include "domain.h"
-#include "comm.h"
 #include "group.h"
 #include "error.h"
 #include "math_const.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.cpp b/src/USER-MISC/dihedral_cosine_shift_exp.cpp
index 1b3afb13eb07473f50fc1176382a9394bfb6ae4f..7c131682fa567ed4b000f25341b00f3477ea9949 100644
--- a/src/USER-MISC/dihedral_cosine_shift_exp.cpp
+++ b/src/USER-MISC/dihedral_cosine_shift_exp.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_cosine_shift_exp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "memory.h"
 #include "math_const.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/dihedral_fourier.cpp b/src/USER-MISC/dihedral_fourier.cpp
index e897e58649c2f432d2533b5431f1f907025f2c4d..066447f92d91ccb4e4e4e7b6fe8868bb577acf45 100644
--- a/src/USER-MISC/dihedral_fourier.cpp
+++ b/src/USER-MISC/dihedral_fourier.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_fourier.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/dihedral_nharmonic.cpp b/src/USER-MISC/dihedral_nharmonic.cpp
index 0ff62320e4c534a82671572098d98f3c60a3fc69..bde8d84070bd68486a11603991f647ef25db94fc 100644
--- a/src/USER-MISC/dihedral_nharmonic.cpp
+++ b/src/USER-MISC/dihedral_nharmonic.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_nharmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/dihedral_quadratic.cpp b/src/USER-MISC/dihedral_quadratic.cpp
index d91c237838acaa37ed67993ca7c8637c8643fab9..deafc8391f671dc577cb1b19a00af4b850d519fe 100644
--- a/src/USER-MISC/dihedral_quadratic.cpp
+++ b/src/USER-MISC/dihedral_quadratic.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_quadratic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -27,7 +27,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/dihedral_spherical.cpp b/src/USER-MISC/dihedral_spherical.cpp
index 1cfb7561278ad80fc3c6fb12211c488396b0e753..15bb458c481631d5cef0bacb55e9ed78d685c444 100644
--- a/src/USER-MISC/dihedral_spherical.cpp
+++ b/src/USER-MISC/dihedral_spherical.cpp
@@ -18,21 +18,20 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_spherical.h"
-#include <mpi.h>
-#include <cmath>
-#include <cassert>
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
 #include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "math_const.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cassert>
 
-using namespace std;
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathExtra;
diff --git a/src/USER-MISC/dihedral_table.cpp b/src/USER-MISC/dihedral_table.cpp
index 37410ba085ea9d9e5e48a05ee87f936346b3d5d3..91a8642b10ec4480d8a91b19d665e33be32e9efb 100644
--- a/src/USER-MISC/dihedral_table.cpp
+++ b/src/USER-MISC/dihedral_table.cpp
@@ -17,33 +17,24 @@
                           the "tridiag.c" written by Gerard Jungman for GSL
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
-#include <cctype>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include <string>
-#include <sstream>  // IWYU pragma: keep
-#include <fstream>  // IWYU pragma: keep
+#include "dihedral_table.h"
 
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
 #include "domain.h"
+#include "error.h"
 #include "force.h"
+#include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "dihedral_table.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "neighbor.h"
 #include "table_file_reader.h"
-#include "fmt/format.h"
+#include "tokenizer.h"
 
-#include "math_const.h"
-#include "math_extra.h"
+#include <cmath>
+#include <cstring>
+#include <fstream>  // IWYU pragma: keep
 
-using namespace std;
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathExtra;
@@ -829,28 +820,20 @@ void DihedralTable::coeff(int narg, char **arg)
   // ---  and resolve issues with periodicity  ---
 
   if (tb->ninput < 2) {
-    string err_msg;
-    err_msg = string("Invalid dihedral table length (")
-      + string(arg[2]) + string(").");
-    error->one(FLERR,err_msg);
-  }
-  else if ((tb->ninput == 2) && (tabstyle == SPLINE)) {
-    string err_msg;
-    err_msg = string("Invalid dihedral spline table length. (Try linear)\n (")
-      + string(arg[2]) + string(").");
-    error->one(FLERR,err_msg);
+    error->one(FLERR,fmt::format("Invalid dihedral table length ({}).",
+                                 arg[2]));
+  } else if ((tb->ninput == 2) && (tabstyle == SPLINE)) {
+    error->one(FLERR,fmt::format("Invalid dihedral spline table length. "
+                                 "(Try linear)\n ({}).",arg[2]));
   }
 
   // check for monotonicity
   for (int i=0; i < tb->ninput-1; i++) {
     if (tb->phifile[i] >= tb->phifile[i+1]) {
-      stringstream i_str;
-      i_str << i+1;
-      string err_msg =
-        string("Dihedral table values are not increasing (") +
-        string(arg[2]) + string(", ")+i_str.str()+string("th entry)");
+      auto err_msg = fmt::format("Dihedral table values are not increasing "
+                                 "({}, {}th entry)",arg[2],i+1);
       if (i==0)
-        err_msg += string("\n(This is probably a mistake with your table format.)\n");
+        err_msg += std::string("\n(This is probably a mistake with your table format.)\n");
       error->all(FLERR,err_msg);
     }
   }
@@ -859,20 +842,13 @@ void DihedralTable::coeff(int narg, char **arg)
   double philo = tb->phifile[0];
   double phihi = tb->phifile[tb->ninput-1];
   if (tb->use_degrees) {
-    if ((phihi - philo) >= 360) {
-      string err_msg;
-      err_msg = string("Dihedral table angle range must be < 360 degrees (")
-        +string(arg[2]) + string(").");
-      error->all(FLERR,err_msg);
-    }
-  }
-  else {
-    if ((phihi - philo) >= MY_2PI) {
-      string err_msg;
-      err_msg = string("Dihedral table angle range must be < 2*PI radians (")
-        + string(arg[2]) + string(").");
-      error->all(FLERR,err_msg);
-    }
+    if ((phihi - philo) >= 360)
+      error->all(FLERR,fmt::format("Dihedral table angle range must be < 360 "
+                                   "degrees ({}).",arg[2]));
+  } else {
+    if ((phihi - philo) >= MY_2PI)
+      error->all(FLERR,fmt::format("Dihedral table angle range must be < 2*PI "
+                                   "radians ({}).",arg[2]));
   }
 
   // convert phi from degrees to radians
@@ -940,10 +916,9 @@ void DihedralTable::coeff(int narg, char **arg)
   // Optional: allow the user to print out the interpolated spline tables
 
   if (me == 0) {
-    if (!checkU_fname.empty())
-    {
-      ofstream checkU_file;
-      checkU_file.open(checkU_fname, ios::out);
+    if (!checkU_fname.empty()) {
+      std::ofstream checkU_file;
+      checkU_file.open(checkU_fname, std::ios::out);
       for (int i=0; i < tablength; i++) {
         double phi = i*MY_2PI/tablength;
         double u = tb->e[i];
@@ -953,12 +928,10 @@ void DihedralTable::coeff(int narg, char **arg)
       }
       checkU_file.close();
     }
-    if (!checkF_fname.empty())
-    {
-      ofstream checkF_file;
-      checkF_file.open(checkF_fname, ios::out);
-      for (int i=0; i < tablength; i++)
-      {
+    if (!checkF_fname.empty()) {
+      std::ofstream checkF_file;
+      checkF_file.open(checkF_fname, std::ios::out);
+      for (int i=0; i < tablength; i++) {
         double phi = i*MY_2PI/tablength;
         double f;
         if ((tabstyle == SPLINE) && (tb->f_unspecified)) {
@@ -973,8 +946,7 @@ void DihedralTable::coeff(int narg, char **arg)
             //  To be nice and report something, I do the same thing here.)
             cyc_splintD(tb->phi, tb->e, tb->e2, tablength, MY_2PI,phi);
           f = -dU_dphi;
-        }
-        else
+        } else
           // Otherwise we calculated the tb->f[] array.  Report its contents.
           f = tb->f[i];
         if (tb->use_degrees) {
@@ -991,8 +963,7 @@ void DihedralTable::coeff(int narg, char **arg)
 
   // store ptr to table in tabindex
   int count = 0;
-  for (int i = ilo; i <= ihi; i++)
-  {
+  for (int i = ilo; i <= ihi; i++) {
     tabindex[i] = ntables;
     //phi0[i] = tb->phi0; <- equilibrium dihedral angles not supported
     setflag[i] = 1;
@@ -1213,7 +1184,7 @@ void DihedralTable::spline_table(Table *tb)
     } // for (int i=0; i<tb->ninput; i++)
 
     if ((num_disagreements > tb->ninput/2) && (num_disagreements > 2)) {
-      string msg("Dihedral table has inconsistent forces and energies. (Try \"NOF\".)\n");
+      std::string msg("Dihedral table has inconsistent forces and energies. (Try \"NOF\".)\n");
       error->all(FLERR, msg);
     }
 
@@ -1319,7 +1290,7 @@ void DihedralTable::param_extract(Table *tb, char *line)
     ValueTokenizer values(line);
 
     while (values.has_next()) {
-      std::string word = values.next_string();
+      auto word = values.next_string();
       if (word == "N") {
         tb->ninput = values.next_int();
       }
@@ -1342,10 +1313,8 @@ void DihedralTable::param_extract(Table *tb, char *line)
       //else if (word == "EQ") {
       //  tb->theta0 = values.next_double();
       //}
-      else {
-        string err_msg = fmt::format("Invalid keyword in dihedral angle table parameters ({})", word);
-        error->one(FLERR,err_msg);
-      }
+      else error->one(FLERR,fmt::format("Invalid keyword in dihedral angle "
+                                        "table parameters ({})", word));
     }
   } catch (TokenizerException & e) {
     error->one(FLERR, e.what());
diff --git a/src/USER-MISC/dihedral_table.h b/src/USER-MISC/dihedral_table.h
index 8a397b20f2daba55d7908085f816b5fc3eb7c742..a8d1f8f8bbfe2ee8eb718375c904337258495971 100644
--- a/src/USER-MISC/dihedral_table.h
+++ b/src/USER-MISC/dihedral_table.h
@@ -24,7 +24,7 @@ DihedralStyle(table,DihedralTable)
 #ifndef LMP_DIHEDRAL_TABLE_H
 #define LMP_DIHEDRAL_TABLE_H
 #include "dihedral.h"
-#include <string>
+
 
 namespace LAMMPS_NS {
 
diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp
index 2a5b46a4f1608536fbd3d625345684a35507372e..f8a2f025966a8e1e02ae46e7f21406e140350f39 100644
--- a/src/USER-MISC/dihedral_table_cut.cpp
+++ b/src/USER-MISC/dihedral_table_cut.cpp
@@ -17,12 +17,12 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_table_cut.h"
-#include <mpi.h>
+
 #include <cctype>
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
-#include <string>
+
 #include <fstream>  // IWYU pragma: keep
 #include <sstream>  // IWYU pragma: keep
 
@@ -35,7 +35,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/fix_accelerate_cos.cpp b/src/USER-MISC/fix_accelerate_cos.cpp
index 17d6e9ad9470f88af7d44a1b73682ba604cef165..4c156855569db8e23f22b4624dbc2b7481c9dfa7 100644
--- a/src/USER-MISC/fix_accelerate_cos.cpp
+++ b/src/USER-MISC/fix_accelerate_cos.cpp
@@ -16,19 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_accelerate_cos.h"
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
-#include "region.h"
-#include "respa.h"
-#include "input.h"
-#include "variable.h"
-#include "memory.h"
 #include "error.h"
 #include "force.h"
 #include "math_const.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/USER-MISC/fix_addtorque.cpp
index 4583d76e0969878ead45e3eb2e6a8239646d3b6a..ed796280e79ea006841d2a0125343b78cd3fe035 100644
--- a/src/USER-MISC/fix_addtorque.cpp
+++ b/src/USER-MISC/fix_addtorque.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_addtorque.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-MISC/fix_ave_correlate_long.cpp b/src/USER-MISC/fix_ave_correlate_long.cpp
index abfa751d158c5dd6f6e697f9b087d9949e3c3993..d92789f03fa2c6a7214f9501ed6f55a1b521dd48 100644
--- a/src/USER-MISC/fix_ave_correlate_long.cpp
+++ b/src/USER-MISC/fix_ave_correlate_long.cpp
@@ -22,20 +22,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_correlate_long.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include <unistd.h>
-#include "update.h"
-#include "modify.h"
+
+#include "citeme.h"
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
-#include "citeme.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
+#include <unistd.h>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_electron_stopping.cpp b/src/USER-MISC/fix_electron_stopping.cpp
index bf970662758eb0fc8f6d8265c22cb0b48d5d42c6..952ffe758418d0e9caac84b6f2ca8b1b2f914598 100644
--- a/src/USER-MISC/fix_electron_stopping.cpp
+++ b/src/USER-MISC/fix_electron_stopping.cpp
@@ -17,21 +17,22 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_electron_stopping.h"
-#include <cmath>
-#include <cstring>
-#include "mpi.h"
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
 #include "domain.h"
-#include "region.h"
-#include "force.h"
+#include "error.h"
 #include "fix.h"
+#include "force.h"
 #include "memory.h"
-#include "comm.h"
-#include "error.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
+#include "region.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_ffl.cpp b/src/USER-MISC/fix_ffl.cpp
index 4460c551836bc0465faaad4a44334b3742ca0cc9..fb111c1f2724a587c61acdabedbd1226a602f9e8 100644
--- a/src/USER-MISC/fix_ffl.cpp
+++ b/src/USER-MISC/fix_ffl.cpp
@@ -22,7 +22,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ffl.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/USER-MISC/fix_filter_corotate.cpp b/src/USER-MISC/fix_filter_corotate.cpp
index 18fd7848619922979746597e27e9840942ed4b5d..86650cd50d7f8b6de8cdadb8e78896ab2e49fbdc 100644
--- a/src/USER-MISC/fix_filter_corotate.cpp
+++ b/src/USER-MISC/fix_filter_corotate.cpp
@@ -17,11 +17,11 @@
    ------------------------------------------------------------------------- */
 
 #include "fix_filter_corotate.h"
-#include <mpi.h>
+
 #include <cctype>
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "comm.h"
diff --git a/src/USER-MISC/fix_flow_gauss.cpp b/src/USER-MISC/fix_flow_gauss.cpp
index 2463e18b400835e79dc75e25e046ef7a8b3ccfa6..d603e376714b2c8522696c3184dc27bee96bbadf 100644
--- a/src/USER-MISC/fix_flow_gauss.cpp
+++ b/src/USER-MISC/fix_flow_gauss.cpp
@@ -17,16 +17,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_flow_gauss.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "group.h"
-#include "update.h"
+#include "citeme.h"
 #include "domain.h"
 #include "error.h"
-#include "citeme.h"
+#include "group.h"
 #include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_gle.cpp b/src/USER-MISC/fix_gle.cpp
index 30e62c7eb9051919b0d63bd3967c9e5a47ab3e30..f4776c3d6c0a4bd2fc586d70e2f3b963d1e4fb5f 100644
--- a/src/USER-MISC/fix_gle.cpp
+++ b/src/USER-MISC/fix_gle.cpp
@@ -17,10 +17,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_gle.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -29,7 +29,7 @@
 #include "random_mars.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_imd.cpp b/src/USER-MISC/fix_imd.cpp
index af4a5172692e02f5a38022b984303b140dc34dd2..7c3fac9c339dc0ae3a88e57e43bc84ddb31bf106 100644
--- a/src/USER-MISC/fix_imd.cpp
+++ b/src/USER-MISC/fix_imd.cpp
@@ -48,17 +48,16 @@ negotiate an appropriate license for such distribution."
 ------------------------------------------------------------------------- */
 
 #include "fix_imd.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "respa.h"
 #include "domain.h"
-#include "force.h"
 #include "error.h"
 #include "group.h"
 #include "memory.h"
+#include "respa.h"
+#include "update.h"
 
-#include <cstdlib>
 #include <cstring>
 
 #if defined(_MSC_VER) || defined(__MINGW32__)
diff --git a/src/USER-MISC/fix_ipi.cpp b/src/USER-MISC/fix_ipi.cpp
index b1d07eef4102fdd76259cafe3e50b812ec54b2ec..b8045a9ff1412a902f22df17503c8afebf12e30a 100644
--- a/src/USER-MISC/fix_ipi.cpp
+++ b/src/USER-MISC/fix_ipi.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ipi.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -45,7 +45,7 @@ using namespace FixConst;
 
 // socket interface
 #ifndef _WIN32
-#include <cstdlib>
+
 #include <unistd.h>
 #include <sys/types.h>
 #include <sys/socket.h>
diff --git a/src/USER-MISC/fix_momentum_chunk.cpp b/src/USER-MISC/fix_momentum_chunk.cpp
index 0ed5e1f8770a56d533ca2397cdb91d3318e03e2d..fcd6d47922b1c75e65bd69769fe1064f383dbad6 100644
--- a/src/USER-MISC/fix_momentum_chunk.cpp
+++ b/src/USER-MISC/fix_momentum_chunk.cpp
@@ -12,19 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_momentum_chunk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "compute.h"
 #include "compute_chunk_atom.h"
 #include "compute_com_chunk.h"
 #include "domain.h"
-#include "group.h"
 #include "error.h"
-#include "force.h"
+#include "group.h"
 #include "modify.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_momentum_chunk.h b/src/USER-MISC/fix_momentum_chunk.h
index 5e056f2494991b6c83dc323f135be7087c4e51f4..5007e38c695ecce03ce1bf182ba0dd46034a9b5d 100644
--- a/src/USER-MISC/fix_momentum_chunk.h
+++ b/src/USER-MISC/fix_momentum_chunk.h
@@ -21,7 +21,7 @@ FixStyle(momentum/chunk,FixMomentumChunk)
 #define LMP_FIX_MOMENTUM_CHUNK_H
 
 #include "fix.h"
-#include <string>
+
 
 namespace LAMMPS_NS {
 
diff --git a/src/USER-MISC/fix_npt_cauchy.cpp b/src/USER-MISC/fix_npt_cauchy.cpp
index 221886d38871f28fb458aeca5fb691a22edd5539..9361d9ebd6f2b58a5ab91383f49f26de925442a8 100644
--- a/src/USER-MISC/fix_npt_cauchy.cpp
+++ b/src/USER-MISC/fix_npt_cauchy.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cstring>
-#include <cstdlib>
+
 #include <cmath>
 #include "fix_npt_cauchy.h"
 #include "math_extra.h"
diff --git a/src/USER-MISC/fix_nvk.cpp b/src/USER-MISC/fix_nvk.cpp
index 410a269f8cec30eed5258111cbc2c16ddd4e1871..f0fbddf18de46dc1ad145122783f61ff81385881 100644
--- a/src/USER-MISC/fix_nvk.cpp
+++ b/src/USER-MISC/fix_nvk.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nvk.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/USER-MISC/fix_orient_eco.cpp b/src/USER-MISC/fix_orient_eco.cpp
index 4e97cac3f94b0e554ef5e52d9c63e02de1916f50..5f1582d580c516e0b72db9ece8b161b5ee82e75d 100644
--- a/src/USER-MISC/fix_orient_eco.cpp
+++ b/src/USER-MISC/fix_orient_eco.cpp
@@ -16,13 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_orient_eco.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "citeme.h"
 #include "comm.h"
-#include "domain.h"
 #include "error.h"
 #include "force.h"
 #include "math_const.h"
@@ -33,8 +30,9 @@
 #include "pair.h"
 #include "respa.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_pafi.cpp b/src/USER-MISC/fix_pafi.cpp
index 33407aec44cd09bf66fe9c8e824bfa59b873d868..1ac0ffb188c8d5b7222164e58616eb5c9316655a 100644
--- a/src/USER-MISC/fix_pafi.cpp
+++ b/src/USER-MISC/fix_pafi.cpp
@@ -19,25 +19,22 @@
 
 
 #include "fix_pafi.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include "math_extra.h"
+
 #include "atom.h"
-#include "force.h"
-#include "update.h"
-#include "modify.h"
-#include "domain.h"
-#include "respa.h"
+#include "citeme.h"
 #include "comm.h"
 #include "compute.h"
-#include "random_mars.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "utils.h"
-#include "citeme.h"
-#include "fmt/format.h"
+#include "force.h"
+#include "memory.h"
+#include "modify.h"
+#include "random_mars.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -61,7 +58,7 @@ using namespace FixConst;
 /* ---------------------------------------------------------------------- */
 
 FixPAFI::FixPAFI(LAMMPS *lmp, int narg, char **arg) :
-  Fix(lmp, narg, arg), random(NULL), computename(NULL),
+  Fix(lmp, narg, arg), computename(NULL), random(NULL),
       h(NULL), step_respa(NULL)
 {
   if (lmp->citeme) lmp->citeme->add(cite_fix_pafi_package);
@@ -122,15 +119,15 @@ FixPAFI::FixPAFI(LAMMPS *lmp, int narg, char **arg) :
   }
   force_flag = 0;
 
-  for(int i = 0; i < 10; i++) {
+  for (int i = 0; i < 10; i++) {
     c_v[i] = 0.;
     c_v_all[i] = 0.;
   }
-  for(int i=0; i<6; i++) {
+  for (int i=0; i<6; i++) {
     proj[i] = 0.0;
     proj_all[i] = 0.0;
   }
-  for(int i=0; i<5; i++) {
+  for (int i=0; i<5; i++) {
     results[i] = 0.0;
     results_all[i] = 0.0;
   }
@@ -208,14 +205,14 @@ void FixPAFI::setup(int vflag)
 
 void FixPAFI::min_setup(int vflag)
 {
-  if( utils::strmatch(update->minimize_style,"^fire")==0 &&
+  if (utils::strmatch(update->minimize_style,"^fire")==0 &&
           utils::strmatch(update->minimize_style,"^quickmin")==0 )
     error->all(FLERR,"fix pafi requires a damped dynamics minimizer");
   min_post_force(vflag);
 }
 
 
-void FixPAFI::post_force(int vflag)
+void FixPAFI::post_force(int /*vflag*/)
 {
   double **x = atom->x;
   double **v = atom->v;
@@ -236,24 +233,20 @@ void FixPAFI::post_force(int vflag)
   PathCompute->compute_peratom();
   double **path = PathCompute->array_atom;
 
-  double xum=0.;
-
   // proj 0,1,2 = f.n, v.n, h.n
   // proj 3,4,5 = psi, f.n**2, f*(1-psi)
   // c_v 0,1,2 = fxcom, fycom, fzcom etc
-  for(int i = 0; i < 10; i++) {
+  for (int i = 0; i < 10; i++) {
     c_v[i] = 0.;
     c_v_all[i] = 0.;
   }
-  for(int i = 0; i < 6; i++) {
+  for (int i = 0; i < 6; i++) {
     proj[i] = 0.;
     proj_all[i] = 0.;
   }
 
   double deviation[3] = {0.,0.,0.};
 
-  double fn;
-
   force_flag=0;
   for (int i = 0; i < nlocal; i++) {
     if (mask[i] & groupbit) {
@@ -293,7 +286,7 @@ void FixPAFI::post_force(int vflag)
     }
   }
 
-  if(com_flag == 0){
+  if (com_flag == 0){
     c_v[9] += 1.0;
   } else {
     for (int i = 0; i < nlocal; i++)
@@ -345,7 +338,7 @@ void FixPAFI::post_force(int vflag)
   if (od_flag == 0) {
     for (int i = 0; i < nlocal; i++){
       if (mask[i] & groupbit) {
-        if(rmass) mass_f = sqrt(rmass[i]);
+        if (rmass) mass_f = sqrt(rmass[i]);
         else mass_f = sqrt(mass[type[i]]);
 
         f[i][0] += -gamma * mass_f * mass_f * v[i][0];
@@ -361,7 +354,7 @@ void FixPAFI::post_force(int vflag)
     for (int i = 0; i < nlocal; i++){
       if (mask[i] & groupbit) {
 
-        if(rmass) mass_f = sqrt(rmass[i]);
+        if (rmass) mass_f = sqrt(rmass[i]);
         else mass_f = sqrt(mass[type[i]]);
 
         f[i][0] += sqrtD * h[i][0] * mass_f;
@@ -378,13 +371,12 @@ void FixPAFI::post_force(int vflag)
 
 };
 
-void FixPAFI::post_force_respa(int vflag, int ilevel, int iloop)
+void FixPAFI::post_force_respa(int vflag, int ilevel, int /*iloop*/)
 {
   // set force to desired value on requested level, 0.0 on other levels
 
   if (ilevel == ilevel_respa) post_force(vflag);
   else {
-    double **x = atom->x;
     double **f = atom->f;
     int *mask = atom->mask;
     int nlocal = atom->nlocal;
@@ -396,38 +388,31 @@ void FixPAFI::post_force_respa(int vflag, int ilevel, int iloop)
   }
 };
 
-void FixPAFI::min_post_force(int vflag)
+void FixPAFI::min_post_force(int /*vflag*/)
 {
   double **x = atom->x;
   double **v = atom->v;
   double **f = atom->f;
-  double *rmass = atom->rmass;
-  double *mass = atom->mass;
-  int *type = atom->type;
   int *mask = atom->mask;
   int nlocal = atom->nlocal;
 
   PathCompute->compute_peratom();
   double **path = PathCompute->array_atom;
 
-  double xum=0.;
-
   // proj 0,1,2 = f.n, v.n, h.n
   // proj 3,4,5 = psi, f.n**2, f*(1-psi)
   // c_v 0,1,2 = fxcom, fycom, fzcom etc
-  for(int i = 0; i < 10; i++) {
+  for (int i = 0; i < 10; i++) {
     c_v[i] = 0.;
     c_v_all[i] = 0.;
   }
-  for(int i = 0; i < 6; i++) {
+  for (int i = 0; i < 6; i++) {
     proj[i] = 0.;
     proj_all[i] = 0.;
   }
 
   double deviation[3] = {0.,0.,0.};
 
-  double fn;
-
   force_flag=0;
   for (int i = 0; i < nlocal; i++) {
     if (mask[i] & groupbit) {
@@ -464,7 +449,7 @@ void FixPAFI::min_post_force(int vflag)
     }
   }
 
-  if(com_flag == 0){
+  if (com_flag == 0){
     c_v[9] += 1.0;
   } else {
     for (int i = 0; i < nlocal; i++)
@@ -519,7 +504,7 @@ double FixPAFI::compute_vector(int n)
 
 
 
-void FixPAFI::initial_integrate(int vflag)
+void FixPAFI::initial_integrate(int /*vflag*/)
 {
   double dtfm;
 
@@ -539,11 +524,11 @@ void FixPAFI::initial_integrate(int vflag)
   PathCompute->compute_peratom();
   double **path = PathCompute->array_atom;
 
-  for(int i = 0; i < 10; i++) {
+  for (int i = 0; i < 10; i++) {
     c_v[i] = 0.;
     c_v_all[i] = 0.;
   }
-  for(int i = 0; i < 6; i++) {
+  for (int i = 0; i < 6; i++) {
     proj[i] = 0.;
     proj_all[i] = 0.;
   }
@@ -559,7 +544,7 @@ void FixPAFI::initial_integrate(int vflag)
       proj[1] += v[i][2] * path[i][5]; // v.n
     }
   }
-  if(com_flag == 0){
+  if (com_flag == 0){
     c_v[9] += 1.0;
   } else {
     for (int i = 0; i < nlocal; i++)
@@ -651,11 +636,11 @@ void FixPAFI::final_integrate()
   PathCompute->compute_peratom();
   double **path = PathCompute->array_atom;
 
-  for(int i = 0; i < 10; i++) {
+  for (int i = 0; i < 10; i++) {
     c_v[i] = 0.;
     c_v_all[i] = 0.;
   }
-  for(int i = 0; i < 6; i++) {
+  for (int i = 0; i < 6; i++) {
     proj[i] = 0.;
     proj_all[i] = 0.;
   }
@@ -665,7 +650,7 @@ void FixPAFI::final_integrate()
       proj[0] += f[i][1] * path[i][4]; // f.n
       proj[0] += f[i][2] * path[i][5]; // f.n
     }
-  if(com_flag == 0){
+  if (com_flag == 0){
     c_v[9] += 1.0;
   } else {
     for (int i = 0; i < nlocal; i++)
@@ -710,7 +695,7 @@ void FixPAFI::final_integrate()
 
 /* ---------------------------------------------------------------------- */
 
-void FixPAFI::initial_integrate_respa(int vflag, int ilevel, int iloop)
+void FixPAFI::initial_integrate_respa(int vflag, int ilevel, int /*iloop*/)
 {
   dtv = step_respa[ilevel];
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
@@ -724,7 +709,7 @@ void FixPAFI::initial_integrate_respa(int vflag, int ilevel, int iloop)
 
 /* ---------------------------------------------------------------------- */
 
-void FixPAFI::final_integrate_respa(int ilevel, int iloop)
+void FixPAFI::final_integrate_respa(int ilevel, int /*iloop*/)
 {
   dtf = 0.5 * step_respa[ilevel] * force->ftm2v;
   final_integrate();
diff --git a/src/USER-MISC/fix_pimd.cpp b/src/USER-MISC/fix_pimd.cpp
index 8de31f19b3b50ca2229e30853d82c09bd2aee2c8..5be9bf162b8fad4a448cdc80c797bd24c207f452 100644
--- a/src/USER-MISC/fix_pimd.cpp
+++ b/src/USER-MISC/fix_pimd.cpp
@@ -22,10 +22,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_pimd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "universe.h"
 #include "comm.h"
 #include "force.h"
diff --git a/src/USER-MISC/fix_propel_self.cpp b/src/USER-MISC/fix_propel_self.cpp
index 0a40177993b122b95e46121effcc2282b6ba8751..1b0d780c696a259650cae24ba3d3f737196afba0 100644
--- a/src/USER-MISC/fix_propel_self.cpp
+++ b/src/USER-MISC/fix_propel_self.cpp
@@ -19,25 +19,15 @@
 
 #include "fix_propel_self.h"
 
-#include <cstdio>
-#include <cstring>
-#include <string>
-
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
-#include "citeme.h"
-#include "comm.h"
 #include "error.h"
-#include "force.h"
-#include "group.h"
-#include "math.h"
 #include "math_const.h"
 #include "math_extra.h"
-#include "math_vector.h"
-#include "modify.h"
-#include "random_mars.h"
-#include "respa.h"
-#include "update.h"
+
+#include <cctype>
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_rhok.cpp b/src/USER-MISC/fix_rhok.cpp
index 612352aae185f0f9cbe57f7f431aad921ac56b8d..b088a86661fda1d7a6feb07e4a00defb8a87beb8 100644
--- a/src/USER-MISC/fix_rhok.cpp
+++ b/src/USER-MISC/fix_rhok.cpp
@@ -14,18 +14,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_rhok.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
 
 #include "atom.h"
+#include "citeme.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+#include "math_const.h"
 #include "respa.h"
 #include "update.h"
-#include "citeme.h"
-#include "math_const.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_smd.cpp b/src/USER-MISC/fix_smd.cpp
index d110637b3c545cf1ff9b0396cd9587b6dd1cdacd..0dace284a9b8f657e9de6f6f943a01414bf34133 100644
--- a/src/USER-MISC/fix_smd.cpp
+++ b/src/USER-MISC/fix_smd.cpp
@@ -17,17 +17,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_smd.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "respa.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
 #include "group.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_srp.cpp b/src/USER-MISC/fix_srp.cpp
index d61e7f1ee11194f3eefd662e05be546ffa66fe8d..97bf1fb07b312c9d7b1049f41da62811d0691198 100644
--- a/src/USER-MISC/fix_srp.cpp
+++ b/src/USER-MISC/fix_srp.cpp
@@ -16,19 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_srp.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "domain.h"
-#include "modify.h"
+#include "atom_vec.h"
 #include "comm.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "neighbor.h"
-#include "atom_vec.h"
+#include "force.h"
+#include "memory.h"
 #include "modify.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_ti_spring.cpp b/src/USER-MISC/fix_ti_spring.cpp
index ef7c4c02967fa3afae53f31bff8f6c9fddb2f334..bc10b5284cd80a5638258528f71c14e96ae3ba23 100644
--- a/src/USER-MISC/fix_ti_spring.cpp
+++ b/src/USER-MISC/fix_ti_spring.cpp
@@ -19,16 +19,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ti_spring.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
+#include "citeme.h"
 #include "domain.h"
-#include "respa.h"
-#include "memory.h"
 #include "error.h"
-#include "citeme.h"
-#include "force.h"
+#include "memory.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_ttm_mod.cpp b/src/USER-MISC/fix_ttm_mod.cpp
index 8c37b19e8ba7d9798dddba1446bb8333a2494f5d..c12019528cc15309a41e559ffdbb04f51d1b64eb 100644
--- a/src/USER-MISC/fix_ttm_mod.cpp
+++ b/src/USER-MISC/fix_ttm_mod.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ttm_mod.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -32,8 +32,8 @@
 #include "error.h"
 #include "citeme.h"
 #include "math_const.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 #include "tokenizer.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MISC/fix_wall_ees.cpp b/src/USER-MISC/fix_wall_ees.cpp
index bd7e23047240c3d7161ab8555cc14f8f7b9b31db..c4be8b9f1b59dbda185009bfb66625ff453c1c43 100644
--- a/src/USER-MISC/fix_wall_ees.cpp
+++ b/src/USER-MISC/fix_wall_ees.cpp
@@ -16,13 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_ees.h"
-#include <cmath>
+
 #include "math_extra.h"
 #include "atom.h"
-#include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"
 #include "error.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/USER-MISC/fix_wall_reflect_stochastic.cpp b/src/USER-MISC/fix_wall_reflect_stochastic.cpp
index 8afc506804454a35cfc9ae2d07f56e9cf6145473..9a8454b0173a94d8979aec55fde31e428c427bf1 100644
--- a/src/USER-MISC/fix_wall_reflect_stochastic.cpp
+++ b/src/USER-MISC/fix_wall_reflect_stochastic.cpp
@@ -17,19 +17,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_reflect_stochastic.h"
-#include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "lattice.h"
-#include "input.h"
-#include "variable.h"
 #include "random_mars.h"
-#include "error.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/fix_wall_reflect_stochastic.h b/src/USER-MISC/fix_wall_reflect_stochastic.h
index 0568dc8ae55a28a9f72ae35d838add461c3584ef..558ad7d084db213041fca021ec209cf52657b57f 100644
--- a/src/USER-MISC/fix_wall_reflect_stochastic.h
+++ b/src/USER-MISC/fix_wall_reflect_stochastic.h
@@ -20,7 +20,6 @@ FixStyle(wall/reflect/stochastic,FixWallReflectStochastic)
 #ifndef LMP_FIX_WALL_REFLECT_STOCHASTIC_H
 #define LMP_FIX_WALL_REFLECT_STOCHASTIC_H
 
-#include "random_mars.h"
 #include "fix_wall_reflect.h"
 
 namespace LAMMPS_NS {
diff --git a/src/USER-MISC/fix_wall_region_ees.cpp b/src/USER-MISC/fix_wall_region_ees.cpp
index 3a8323d58d32fd634eb8674502a49e4be4ae1be0..dfb11d6467c4e218507437ea78b5a65f8df6d31a 100644
--- a/src/USER-MISC/fix_wall_region_ees.cpp
+++ b/src/USER-MISC/fix_wall_region_ees.cpp
@@ -16,18 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_region_ees.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
 #include "domain.h"
-#include "region.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
 #include "math_extra.h"
+#include "region.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-MISC/improper_cossq.cpp b/src/USER-MISC/improper_cossq.cpp
index 09cf7cf2c64fdc8df99e26a7848ebe5dfcfccdf5..57149312154eb13301545b645aa33afbd3a8f990 100644
--- a/src/USER-MISC/improper_cossq.cpp
+++ b/src/USER-MISC/improper_cossq.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_cossq.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "math_const.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MISC/improper_distance.cpp b/src/USER-MISC/improper_distance.cpp
index 8ea58b23b303f7182b43bd8fbac460099d798660..476cf8ab43c558bd5d6866f4906ca158140b96c9 100644
--- a/src/USER-MISC/improper_distance.cpp
+++ b/src/USER-MISC/improper_distance.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_distance.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/improper_fourier.cpp b/src/USER-MISC/improper_fourier.cpp
index 3bdbc7bc680cf79c1969843af3335ddc86522b3e..85f7809a028eb9f97fbda711089081ad53fd8b85 100644
--- a/src/USER-MISC/improper_fourier.cpp
+++ b/src/USER-MISC/improper_fourier.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_fourier.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/improper_ring.cpp b/src/USER-MISC/improper_ring.cpp
index 4102a250dd5c75d67876433964c6c4eee04a49be..c85e4850c839a899e237216a8ef814c94916ad99 100644
--- a/src/USER-MISC/improper_ring.cpp
+++ b/src/USER-MISC/improper_ring.cpp
@@ -37,7 +37,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_ring.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -47,7 +47,7 @@
 #include "math_special.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/pair_agni.cpp b/src/USER-MISC/pair_agni.cpp
index 764ccc587ff93c3bcc63f014bfec58802f182863..41f9bc953172bc11b656ae21ae21c1c986938d54 100644
--- a/src/USER-MISC/pair_agni.cpp
+++ b/src/USER-MISC/pair_agni.cpp
@@ -16,22 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_agni.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "force.h"
+#include "citeme.h"
 #include "comm.h"
-#include "neigh_list.h"
-#include "memory.h"
 #include "error.h"
-#include "citeme.h"
-#include "math_special.h"
 #include "math_const.h"
-#include "utils.h"
+#include "math_special.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/USER-MISC/pair_buck_mdf.cpp b/src/USER-MISC/pair_buck_mdf.cpp
index 6a4575c6e4127831eaf32ab063f769f05133641c..9ef96f1188fb02bde50a7f46e411cd6400d5d395 100644
--- a/src/USER-MISC/pair_buck_mdf.cpp
+++ b/src/USER-MISC/pair_buck_mdf.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck_mdf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -25,7 +25,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_cosine_squared.cpp b/src/USER-MISC/pair_cosine_squared.cpp
index 8e400d23ed71925e55a03b0c748181a6214d8067..1203cea5f27caa935516babec014524d311d06fd 100644
--- a/src/USER-MISC/pair_cosine_squared.cpp
+++ b/src/USER-MISC/pair_cosine_squared.cpp
@@ -15,22 +15,17 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_cosine_squared.h"
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neigh_list.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp
index 14fbd374b68b96581d5caca3bb424db47fc296e4..5a3e12f1a5ed3800d539a45353ea1ff69748e9a7 100644
--- a/src/USER-MISC/pair_coul_diel.cpp
+++ b/src/USER-MISC/pair_coul_diel.cpp
@@ -15,7 +15,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_diel.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/USER-MISC/pair_coul_shield.cpp
index 883796de1bc568411c144100d48d2038d9ae6ef9..44ab555b02121643738b78cb4f0471f2aa608702 100644
--- a/src/USER-MISC/pair_coul_shield.cpp
+++ b/src/USER-MISC/pair_coul_shield.cpp
@@ -28,7 +28,7 @@
 #include "memory.h"
 #include "math_special.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_coul_slater_cut.cpp b/src/USER-MISC/pair_coul_slater_cut.cpp
index 194ff664b3294cd7b67720f3d1af9b70256ba546..5e799178c92520839e62a0e56cc11274942d925d 100644
--- a/src/USER-MISC/pair_coul_slater_cut.cpp
+++ b/src/USER-MISC/pair_coul_slater_cut.cpp
@@ -15,18 +15,15 @@
  *     Contributing author:  Evangelos Voyiatzis (Royal DSM)
  * ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_coul_slater_cut.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "memory.h"
-#include "error.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_coul_slater_long.cpp b/src/USER-MISC/pair_coul_slater_long.cpp
index d801d0342ff68fa0885f6546fd8e18b80468d580..0c94254f481884f523000e98adb346e4447173e5 100644
--- a/src/USER-MISC/pair_coul_slater_long.cpp
+++ b/src/USER-MISC/pair_coul_slater_long.cpp
@@ -15,23 +15,19 @@
  *     Contributing author:  Evangelos Voyiatzis (Royal DSM)
  * ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_coul_slater_long.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "update.h"
-#include "integrate.h"
-#include "respa.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_drip.cpp b/src/USER-MISC/pair_drip.cpp
index cc890f8c94987dd333e5b81710c3a5e710cfc729..7b56caa20586f17a21dce111190464f1028b58cf 100644
--- a/src/USER-MISC/pair_drip.cpp
+++ b/src/USER-MISC/pair_drip.cpp
@@ -21,9 +21,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_drip.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -33,7 +33,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_e3b.cpp b/src/USER-MISC/pair_e3b.cpp
index 2b58e4b1f802cae8c7527da836a7ff63e94ccc4c..a7ed0fcaad89185c40dc58e69cdf7321a57add93 100644
--- a/src/USER-MISC/pair_e3b.cpp
+++ b/src/USER-MISC/pair_e3b.cpp
@@ -15,7 +15,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_e3b.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include <algorithm>
diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp
index bb9c7422120207b61efce4a692d25ba5fa07f29e..6ccaded35daaf7f5896dd0a958e26ffce641f79f 100644
--- a/src/USER-MISC/pair_edip.cpp
+++ b/src/USER-MISC/pair_edip.cpp
@@ -22,10 +22,10 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_edip.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cfloat>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -35,7 +35,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_edip_multi.cpp b/src/USER-MISC/pair_edip_multi.cpp
index 90a3502eaefc14f6862394776ac1575a033f0b56..4a81a41a260a5b9bf8be046357e62d3eb77002a1 100644
--- a/src/USER-MISC/pair_edip_multi.cpp
+++ b/src/USER-MISC/pair_edip_multi.cpp
@@ -18,9 +18,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_edip_multi.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -31,7 +31,7 @@
 #include "memory.h"
 #include "error.h"
 #include "citeme.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_extep.cpp b/src/USER-MISC/pair_extep.cpp
index 8f8d539679a99f3e090337e7ce6c4a228f1bbcb1..0db7f8739aa8d8a689bb992ebb38f6c5eeda7da2 100644
--- a/src/USER-MISC/pair_extep.cpp
+++ b/src/USER-MISC/pair_extep.cpp
@@ -16,9 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_extep.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <cctype>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 #include "math_const.h"
 
diff --git a/src/USER-MISC/pair_gauss_cut.cpp b/src/USER-MISC/pair_gauss_cut.cpp
index 38d4c4d4c23b49b617273de633205fc071a4f967..c9601c416ec90ce2dd62f5607b2f349a8c983615 100644
--- a/src/USER-MISC/pair_gauss_cut.cpp
+++ b/src/USER-MISC/pair_gauss_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gauss_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "math_const.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
index 62101d0e800d6871c936e2908fd2a030053936bd..671dcb309dd3ca61723959e9c6a74700c969cb6d 100644
--- a/src/USER-MISC/pair_ilp_graphene_hbn.cpp
+++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
@@ -21,9 +21,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_ilp_graphene_hbn.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -34,7 +34,7 @@
 #include "my_page.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
index fb1da5dab8a8e609c5489593dfe65f3fbaf282b3..9f986fa101fc19f2dae7249fad64a602eec4b3eb 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
@@ -22,9 +22,9 @@
 
 #include "pair_kolmogorov_crespi_full.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
-#include <mpi.h>
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
@@ -34,7 +34,7 @@
 #include "my_page.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
index f02423e95215527f131bfc2cc384c1fd8d31cc25..7ce6f8652a29d001492f2e976eef189d0213552c 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_z.cpp
@@ -22,9 +22,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_kolmogorov_crespi_z.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -32,7 +32,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_lebedeva_z.cpp b/src/USER-MISC/pair_lebedeva_z.cpp
index 5a84882cd900826bdad5d9cd101ca02175ca5c82..b8f9e5c38f19038c84fe5f888b5e670da6a95f03 100644
--- a/src/USER-MISC/pair_lebedeva_z.cpp
+++ b/src/USER-MISC/pair_lebedeva_z.cpp
@@ -23,9 +23,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lebedeva_z.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -33,7 +33,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_lennard_mdf.cpp b/src/USER-MISC/pair_lennard_mdf.cpp
index 6faa599d2c30299feaac215c2ac5d1e2cb066368..31d32db505ba9a888bed318cdd67b6c2611b1147 100644
--- a/src/USER-MISC/pair_lennard_mdf.cpp
+++ b/src/USER-MISC/pair_lennard_mdf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lennard_mdf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_list.cpp b/src/USER-MISC/pair_list.cpp
index c553e671cb9edbd2859b959b2d767e2ac3c143ad..a93e0a81af6af3c915804b40dede30eea32a112c 100644
--- a/src/USER-MISC/pair_list.cpp
+++ b/src/USER-MISC/pair_list.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_list.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "atom.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_lj_expand_coul_long.cpp b/src/USER-MISC/pair_lj_expand_coul_long.cpp
index 20081fa1e10cac873ebac0db90a521ae1bd13aa0..92e869e58c345293db63979b5582bb7a4f618004 100644
--- a/src/USER-MISC/pair_lj_expand_coul_long.cpp
+++ b/src/USER-MISC/pair_lj_expand_coul_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_expand_coul_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MISC/pair_lj_mdf.cpp b/src/USER-MISC/pair_lj_mdf.cpp
index 22f20a690e3e65d5b495a578eb1a90a319046bfe..baa0e233f226f9cc08e9683d6fd850b38be65b46 100644
--- a/src/USER-MISC/pair_lj_mdf.cpp
+++ b/src/USER-MISC/pair_lj_mdf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_mdf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
index 6a92602683f1be2cbd0e48f1ecc2d196dd97e4df..ab845e69d55f01d4bcf136c6663cd5fb372d4f6e 100644
--- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
+++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_sf_dipole_sf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "update.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MISC/pair_local_density.cpp b/src/USER-MISC/pair_local_density.cpp
index 8ad9793f98700c18fe58dfa6a328737e215c30cc..404f6e2db1d8fdcaeac6a9e72b48639c2042a8cc 100644
--- a/src/USER-MISC/pair_local_density.cpp
+++ b/src/USER-MISC/pair_local_density.cpp
@@ -18,22 +18,17 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_local_density.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
-#include "force.h"
+#include "citeme.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "memory.h"
 #include "error.h"
-#include "domain.h"
-#include "citeme.h"
-#include "utils.h"
+#include "force.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neighbor.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp
index 6091b95837fd0b7900dccea25a9094fa657a84b6..4d9b3866b768aa9dadd90f1ce222b9a2f6fc51ce 100644
--- a/src/USER-MISC/pair_meam_spline.cpp
+++ b/src/USER-MISC/pair_meam_spline.cpp
@@ -33,7 +33,7 @@
 
 #include "pair_meam_spline.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -43,7 +43,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp
index 34cbe825817670f738ebed93b6fe57130ad8f67c..0a8aae233a41b18c9a2499687822f8b876568aa6 100644
--- a/src/USER-MISC/pair_meam_sw_spline.cpp
+++ b/src/USER-MISC/pair_meam_sw_spline.cpp
@@ -25,7 +25,7 @@
 
 #include "pair_meam_sw_spline.h"
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "force.h"
@@ -35,7 +35,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_momb.cpp b/src/USER-MISC/pair_momb.cpp
index 534f4acff5715d2823a0254008aed91b5fe1e79d..d534284b578ef8b9bfb44e702d74f79a4bb77052 100644
--- a/src/USER-MISC/pair_momb.cpp
+++ b/src/USER-MISC/pair_momb.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_momb.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "citeme.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MISC/pair_morse_smooth_linear.cpp b/src/USER-MISC/pair_morse_smooth_linear.cpp
index 399723e0c5653dcd754c3c5e654507acd5271806..9f895800df6c58830271330ebc19b400e6c9fa58 100644
--- a/src/USER-MISC/pair_morse_smooth_linear.cpp
+++ b/src/USER-MISC/pair_morse_smooth_linear.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_morse_smooth_linear.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp
index 9926318597753a8438793884782045f52abb5037..150895108e805e535cd7bfca564e0713d6397571 100644
--- a/src/USER-MISC/pair_srp.cpp
+++ b/src/USER-MISC/pair_srp.cpp
@@ -26,9 +26,9 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil).
 ------------------------------------------------------------------------- */
 
 #include "pair_srp.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
@@ -44,7 +44,7 @@ Please contact Timothy Sirk for questions (tim.sirk@us.army.mil).
 #include "thermo.h"
 #include "output.h"
 #include "citeme.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp
index 4df172a0018bc85d39c420eca3bfa6dbcc56f00a..1f5cfddff162891ee6f034b4e00cedecdd3dfd2d 100644
--- a/src/USER-MISC/pair_tersoff_table.cpp
+++ b/src/USER-MISC/pair_tersoff_table.cpp
@@ -21,9 +21,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_tersoff_table.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "neighbor.h"
@@ -32,7 +32,7 @@
 #include "force.h"
 #include "comm.h"
 #include "memory.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "potential_file_reader.h"
 
diff --git a/src/USER-MISC/temper_npt.cpp b/src/USER-MISC/temper_npt.cpp
index e4cab277c13daf4324011e6145bf3726322ffbfb..69f4559cacd24573a22774c415dc7e0f6831869b 100644
--- a/src/USER-MISC/temper_npt.cpp
+++ b/src/USER-MISC/temper_npt.cpp
@@ -18,22 +18,23 @@
 ------------------------------------------------------------------------- */
 
 #include "temper_npt.h"
-#include <cmath>
-#include <cstring>
-#include "universe.h"
-#include "domain.h"
+
 #include "atom.h"
-#include "update.h"
-#include "integrate.h"
-#include "modify.h"
 #include "compute.h"
-#include "force.h"
+#include "domain.h"
+#include "error.h"
+#include "finish.h"
 #include "fix.h"
+#include "force.h"
+#include "integrate.h"
+#include "modify.h"
 #include "random_park.h"
-#include "finish.h"
 #include "timer.h"
-#include "error.h"
-#include "utils.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-MOFFF/angle_class2_p6.cpp b/src/USER-MOFFF/angle_class2_p6.cpp
index aa56ababe155daf91a7a0800f20f88ca204b2229..7ef134405def640ffa6b5f32ae8fd9e99a1c6aaf 100644
--- a/src/USER-MOFFF/angle_class2_p6.cpp
+++ b/src/USER-MOFFF/angle_class2_p6.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_class2_p6.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MOFFF/angle_cosine_buck6d.cpp b/src/USER-MOFFF/angle_cosine_buck6d.cpp
index 0f49882e83a65fe4637f33b9e9c3ed89009d8f64..1bede58751d2fa73cd8855bc6c7a41ac592f43c7 100644
--- a/src/USER-MOFFF/angle_cosine_buck6d.cpp
+++ b/src/USER-MOFFF/angle_cosine_buck6d.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cosine_buck6d.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -28,7 +28,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MOFFF/improper_inversion_harmonic.cpp b/src/USER-MOFFF/improper_inversion_harmonic.cpp
index 0ecc60ecc16b0c77dddbec2931b1bffeeefcfd6d..bbe6e48a352ab28cf5e9b453df60314774b8f83f 100644
--- a/src/USER-MOFFF/improper_inversion_harmonic.cpp
+++ b/src/USER-MOFFF/improper_inversion_harmonic.cpp
@@ -20,7 +20,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_inversion_harmonic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -29,7 +29,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
index 28fc9554488b88133692c24abcb32623a67c26ea..0de5423d30174328cbeed628b52a9aff7e21898e 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.cpp
@@ -29,7 +29,7 @@
 #include "memory.h"
 #include "math_const.h"
 #include "error.h"
-#include "utils.h"
+
 #include "math_special.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
index 20bf7fa0498565080aa2ffa7e0a9abaf0ea94a92..c6ba832fff44398fb29ebace665628c97652ef42 100644
--- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
+++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.cpp
@@ -18,7 +18,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck6d_coul_gauss_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,7 +29,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "math_special.h"
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-MOLFILE/dump_molfile.cpp b/src/USER-MOLFILE/dump_molfile.cpp
index d9d8ec3c97aaa9de218508454c6c38cdfda663bd..e0e92f9339c25fd868d5f7ed2333c61f3550487f 100644
--- a/src/USER-MOLFILE/dump_molfile.cpp
+++ b/src/USER-MOLFILE/dump_molfile.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_molfile.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "domain.h"
diff --git a/src/USER-MOLFILE/molfile_interface.cpp b/src/USER-MOLFILE/molfile_interface.cpp
index 798beaee096a68a0b4200219e81e7373532c3ba0..90a5781fff856ac11aacbec2f88436a295e88aa9 100644
--- a/src/USER-MOLFILE/molfile_interface.cpp
+++ b/src/USER-MOLFILE/molfile_interface.cpp
@@ -16,10 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "molfile_interface.h"
+#include "molfile_plugin.h"
 
 #include <sys/types.h>
 #include <cstdio>
-#include <dirent.h>
 #include <cstring>
 #include <cstdlib>
 #include <cctype>
@@ -31,8 +31,6 @@
 #include <dlfcn.h>
 #endif
 
-#include "molfile_plugin.h"
-
 #if vmdplugin_ABIVERSION < 16
 #error "unsupported VMD molfile plugin ABI version"
 #endif
diff --git a/src/USER-MOLFILE/reader_molfile.cpp b/src/USER-MOLFILE/reader_molfile.cpp
index 292a451a870b45bd1858dda76ea702a0956cbb2b..d26a4d4ba01b8cdb0ddca7c2db151db652094dc7 100644
--- a/src/USER-MOLFILE/reader_molfile.cpp
+++ b/src/USER-MOLFILE/reader_molfile.cpp
@@ -16,15 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "reader_molfile.h"
-#include <cstdlib>
-#include <cmath>
+#include "molfile_interface.h"
+
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-
-#include "molfile_interface.h"
 #include "math_const.h"
+#include "memory.h"
 
+#include <cmath>
 using namespace LAMMPS_NS;
 typedef MolfileInterface MFI;
 using namespace MathConst;
diff --git a/src/USER-NETCDF/dump_netcdf.cpp b/src/USER-NETCDF/dump_netcdf.cpp
index bb85dfb78402a1d8596082a825113062ec14461d..f936de6d02fbd9206c85c7258e56c16db6b3b24b 100644
--- a/src/USER-NETCDF/dump_netcdf.cpp
+++ b/src/USER-NETCDF/dump_netcdf.cpp
@@ -18,7 +18,7 @@
 #if defined(LMP_HAS_NETCDF)
 
 #include <unistd.h>
-#include <cstdlib>
+
 #include <cstring>
 #include <netcdf.h>
 #include "dump_netcdf.h"
diff --git a/src/USER-NETCDF/dump_netcdf_mpiio.cpp b/src/USER-NETCDF/dump_netcdf_mpiio.cpp
index 8747bbea25506f7fb395dacb11b28e4c98529d66..19b06329220fbb64fa8a45d13b9d9eef651e7a6f 100644
--- a/src/USER-NETCDF/dump_netcdf_mpiio.cpp
+++ b/src/USER-NETCDF/dump_netcdf_mpiio.cpp
@@ -18,7 +18,7 @@
 #if defined(LMP_HAS_PNETCDF)
 
 #include <unistd.h>
-#include <cstdlib>
+
 #include <cstring>
 #include <pnetcdf.h>
 #include "dump_netcdf_mpiio.h"
diff --git a/src/USER-OMP/angle_charmm_omp.cpp b/src/USER-OMP/angle_charmm_omp.cpp
index 6933afdcd9217760341f271ac202534f63293404..abc23367b18529b8c978b8ec3a513df128281098 100644
--- a/src/USER-OMP/angle_charmm_omp.cpp
+++ b/src/USER-OMP/angle_charmm_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_class2_omp.cpp b/src/USER-OMP/angle_class2_omp.cpp
index 09ee59d5af6abc86c1d6f92dfdb2538c49dd04f1..b33b1c2e2f26e9cdaae57515298a17a9e309a827 100644
--- a/src/USER-OMP/angle_class2_omp.cpp
+++ b/src/USER-OMP/angle_class2_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_cosine_delta_omp.cpp b/src/USER-OMP/angle_cosine_delta_omp.cpp
index ca5afe1449c00adf753caa21b46adb923ac681ee..0c209d3fe5b1d6eb6c73ec895d40c4f5ec35f7f2 100644
--- a/src/USER-OMP/angle_cosine_delta_omp.cpp
+++ b/src/USER-OMP/angle_cosine_delta_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_cosine_omp.cpp b/src/USER-OMP/angle_cosine_omp.cpp
index 48fdd9ba60aaf10f72875aa5582fca4faf139e02..cbeb10e08c791caf438d909326c7ef8832c979fa 100644
--- a/src/USER-OMP/angle_cosine_omp.cpp
+++ b/src/USER-OMP/angle_cosine_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_cosine_periodic_omp.cpp b/src/USER-OMP/angle_cosine_periodic_omp.cpp
index a0e45fe1314591b46431cb6b4b286c0b9e46f904..b59046031ac621a065f6b363d7427cb3f634963f 100644
--- a/src/USER-OMP/angle_cosine_periodic_omp.cpp
+++ b/src/USER-OMP/angle_cosine_periodic_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "math_special.h"
 
 #include "suffix.h"
diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
index 21019336b3e90e096cd8f41317be9255faebd395..4870e6a3bb49a513759bb8226afb1a3862bb0991 100644
--- a/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_exp_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_cosine_shift_omp.cpp b/src/USER-OMP/angle_cosine_shift_omp.cpp
index 1e6d712b628e718365c352c817be486da6b2ad8d..bec65caf6d52b97ffac676ded6a718053e0807cc 100644
--- a/src/USER-OMP/angle_cosine_shift_omp.cpp
+++ b/src/USER-OMP/angle_cosine_shift_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_cosine_squared_omp.cpp b/src/USER-OMP/angle_cosine_squared_omp.cpp
index 6df1e028a039c04a8c5fbfc94264a31cbf36f660..dced90a967c1d67c4312853d07c36af3e774e92d 100644
--- a/src/USER-OMP/angle_cosine_squared_omp.cpp
+++ b/src/USER-OMP/angle_cosine_squared_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_dipole_omp.cpp b/src/USER-OMP/angle_dipole_omp.cpp
index 26d8a7817e13ae326794350b67f6f8949dcbc84f..cea707161f3ed334b65fea839821a5828c17f0f5 100644
--- a/src/USER-OMP/angle_dipole_omp.cpp
+++ b/src/USER-OMP/angle_dipole_omp.cpp
@@ -23,7 +23,7 @@
 #include "error.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_fourier_omp.cpp b/src/USER-OMP/angle_fourier_omp.cpp
index b6ddea3ff9ac3100ee8947ef6b40e458112c6f0d..ec9236902c7283ef414f4df978bd21caaf02f0ae 100644
--- a/src/USER-OMP/angle_fourier_omp.cpp
+++ b/src/USER-OMP/angle_fourier_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_fourier_simple_omp.cpp b/src/USER-OMP/angle_fourier_simple_omp.cpp
index 992acf7c99fd58c7ddff8a88c223c7755d8ac3dc..774f06f80929759efa673258969138b1ef31bfd4 100644
--- a/src/USER-OMP/angle_fourier_simple_omp.cpp
+++ b/src/USER-OMP/angle_fourier_simple_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_harmonic_omp.cpp b/src/USER-OMP/angle_harmonic_omp.cpp
index 0cfc6f95af2740535723dbde84ff6456b90cdb60..5c81e3cba4b93e5e9655c3c333abd44cdeb796c9 100644
--- a/src/USER-OMP/angle_harmonic_omp.cpp
+++ b/src/USER-OMP/angle_harmonic_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_quartic_omp.cpp b/src/USER-OMP/angle_quartic_omp.cpp
index a774edb8c46740145a55ee18b5964e29db935501..d6e9285f11a5e45c4a8888b9c8057190bc836e65 100644
--- a/src/USER-OMP/angle_quartic_omp.cpp
+++ b/src/USER-OMP/angle_quartic_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/angle_sdk_omp.cpp b/src/USER-OMP/angle_sdk_omp.cpp
index e0bc021f1b1bee68a01c00392069e29b97bc3e54..45d6c83aa1f32a6a35228b3f6bb5883320ac99c8 100644
--- a/src/USER-OMP/angle_sdk_omp.cpp
+++ b/src/USER-OMP/angle_sdk_omp.cpp
@@ -20,7 +20,7 @@
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "comm.h"
 #include "force.h"
 #include "lj_sdk_common.h"
diff --git a/src/USER-OMP/angle_table_omp.cpp b/src/USER-OMP/angle_table_omp.cpp
index 1af60f85f651545591c0151185204d3f4a7d6b6e..f67d34017696984dd1a5ed7b63dd2c307b72859d 100644
--- a/src/USER-OMP/angle_table_omp.cpp
+++ b/src/USER-OMP/angle_table_omp.cpp
@@ -22,7 +22,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/bond_class2_omp.cpp b/src/USER-OMP/bond_class2_omp.cpp
index 06edf46024be4f96f6a46501c2069c2cf1b80754..9c52bdb281887b1881cc78acb6ea19213bd34870 100644
--- a/src/USER-OMP/bond_class2_omp.cpp
+++ b/src/USER-OMP/bond_class2_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_fene_expand_omp.cpp b/src/USER-OMP/bond_fene_expand_omp.cpp
index 5f3dd48841bee142df9faba768e1e9dbaf73b40a..38df4f50dacb0606ba09a70aea3322e99521d31b 100644
--- a/src/USER-OMP/bond_fene_expand_omp.cpp
+++ b/src/USER-OMP/bond_fene_expand_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "error.h"
 #include "update.h"
 
diff --git a/src/USER-OMP/bond_fene_omp.cpp b/src/USER-OMP/bond_fene_omp.cpp
index ebf5afdc57e91bab9615cb66779659a9e66830b8..5dde355a767ea784abf37c546da3270fbe7371cb 100644
--- a/src/USER-OMP/bond_fene_omp.cpp
+++ b/src/USER-OMP/bond_fene_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "error.h"
 #include "update.h"
 
diff --git a/src/USER-OMP/bond_gromos_omp.cpp b/src/USER-OMP/bond_gromos_omp.cpp
index d4d2d256019f6386b81fbc52c30358f5120ea6fd..012737f77d75c8809f25c346c948bce96daafae5 100644
--- a/src/USER-OMP/bond_gromos_omp.cpp
+++ b/src/USER-OMP/bond_gromos_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/bond_harmonic_omp.cpp b/src/USER-OMP/bond_harmonic_omp.cpp
index 9160ee70232e1f20a53fb3753ab1e621ecba4bf6..e8f17d5eae4d3544d1625b9b9ae22c74a933ee8b 100644
--- a/src/USER-OMP/bond_harmonic_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
index 7a6c616e4ae1f7ba5e215c9266ee780ccb322ed0..61a60fa995a7b4ad931620ff31240602f0f093c9 100644
--- a/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_harmonic_shift_omp.cpp b/src/USER-OMP/bond_harmonic_shift_omp.cpp
index 19f0a08510f57c7cb41caee1e400a31739a5b19f..50b4ed98a70553dd856fdd0fe1e753625127d9eb 100644
--- a/src/USER-OMP/bond_harmonic_shift_omp.cpp
+++ b/src/USER-OMP/bond_harmonic_shift_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_morse_omp.cpp b/src/USER-OMP/bond_morse_omp.cpp
index 90318c8faf7939819a3ada85108d5e312a4e5ee1..51586370f5b3f965af7531410a57d45d16d14d4d 100644
--- a/src/USER-OMP/bond_morse_omp.cpp
+++ b/src/USER-OMP/bond_morse_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_nonlinear_omp.cpp b/src/USER-OMP/bond_nonlinear_omp.cpp
index 809950f2b7e294d0624c8b9835db9ae58c753b40..720d660eae93f19791e0341edc2d97068eae661d 100644
--- a/src/USER-OMP/bond_nonlinear_omp.cpp
+++ b/src/USER-OMP/bond_nonlinear_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/bond_quartic_omp.cpp b/src/USER-OMP/bond_quartic_omp.cpp
index 0efaa10e3711d7c7d50d8e664b781c90d86383f3..bc1ae96ac99f8a1ece8b85d8502233af140af298 100644
--- a/src/USER-OMP/bond_quartic_omp.cpp
+++ b/src/USER-OMP/bond_quartic_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "pair.h"
 
 #include <cmath>
diff --git a/src/USER-OMP/bond_table_omp.cpp b/src/USER-OMP/bond_table_omp.cpp
index f503bcab2622a813d2779f39047461f479b85fd6..3ccc65441acbd3500d66a6e4f39a7238a76abc1d 100644
--- a/src/USER-OMP/bond_table_omp.cpp
+++ b/src/USER-OMP/bond_table_omp.cpp
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include <cmath>
 
diff --git a/src/USER-OMP/dihedral_charmm_omp.cpp b/src/USER-OMP/dihedral_charmm_omp.cpp
index afd3071434c3929f028c449bdb77e387abe831cc..8454dc100457363be184eef205124fd5455e1d4f 100644
--- a/src/USER-OMP/dihedral_charmm_omp.cpp
+++ b/src/USER-OMP/dihedral_charmm_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "pair.h"
 #include "update.h"
diff --git a/src/USER-OMP/dihedral_class2_omp.cpp b/src/USER-OMP/dihedral_class2_omp.cpp
index 49b8659e2facd64714fb83ecb184c5c09a0f6a86..cf65d735a6d1462053ad90c26b7ae4c4bb21bf6d 100644
--- a/src/USER-OMP/dihedral_class2_omp.cpp
+++ b/src/USER-OMP/dihedral_class2_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
index cea22adf1b4c3185fa3ab09ef93c1fe6379d8209..5d9164d3b3770d23d54ebd37bede8808a3ae8044 100644
--- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
+++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_fourier_omp.cpp b/src/USER-OMP/dihedral_fourier_omp.cpp
index 756931774a01733b1eb263f2be7421602e625b59..be19a6d9584f00a4c96f87fcba3aa5167331c7e8 100644
--- a/src/USER-OMP/dihedral_fourier_omp.cpp
+++ b/src/USER-OMP/dihedral_fourier_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_harmonic_omp.cpp b/src/USER-OMP/dihedral_harmonic_omp.cpp
index d1f511954e0ecd5d702a782b8938f6739b5afa7c..3d51a4db43952f155c83b67400c8815907254c88 100644
--- a/src/USER-OMP/dihedral_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_harmonic_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_helix_omp.cpp b/src/USER-OMP/dihedral_helix_omp.cpp
index 5289fc2c6288f604cfe33cf42c5069ae8741c18c..5209fac23a83a2f87d131580b37be930a2faeef6 100644
--- a/src/USER-OMP/dihedral_helix_omp.cpp
+++ b/src/USER-OMP/dihedral_helix_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "math_const.h"
diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
index edf8a20899d7482051c59edc40a3afdefb8c1f04..a6e0ab66d6da580a2d6a6044786732f1e711e7e4 100644
--- a/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_multi_harmonic_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_nharmonic_omp.cpp b/src/USER-OMP/dihedral_nharmonic_omp.cpp
index bf51a0171377e0fe61250766bf297aa5402efad1..4604771912f56d79a8ddf5236bf4a7d5bde0ef79 100644
--- a/src/USER-OMP/dihedral_nharmonic_omp.cpp
+++ b/src/USER-OMP/dihedral_nharmonic_omp.cpp
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "update.h"
 #include "error.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/dihedral_opls_omp.cpp b/src/USER-OMP/dihedral_opls_omp.cpp
index 8814d3f3f04e41ff14e943fd4c63a5b1bc9bf810..ff0f6bb12b106d0ea768958f5f8495c75df33c61 100644
--- a/src/USER-OMP/dihedral_opls_omp.cpp
+++ b/src/USER-OMP/dihedral_opls_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/dihedral_quadratic_omp.cpp b/src/USER-OMP/dihedral_quadratic_omp.cpp
index e61c5f0d85cc4cf39df1180863d9f471f479e37c..5ffb8d64f2952d274ea1f7e67ded0d645a4f1fd6 100644
--- a/src/USER-OMP/dihedral_quadratic_omp.cpp
+++ b/src/USER-OMP/dihedral_quadratic_omp.cpp
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "update.h"
 #include "error.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/dihedral_table_omp.cpp b/src/USER-OMP/dihedral_table_omp.cpp
index bf5332a1c1adac2b4ccac62818010626b7262630..c18d5fb4c0b9a160c4cd252ce67634c4f829db9f 100644
--- a/src/USER-OMP/dihedral_table_omp.cpp
+++ b/src/USER-OMP/dihedral_table_omp.cpp
@@ -23,7 +23,7 @@
 #include "domain.h"
 #include "neighbor.h"
 #include "force.h"
-#include "timer.h"
+
 #include "math_const.h"
 #include "math_extra.h"
 
diff --git a/src/USER-OMP/ewald_omp.cpp b/src/USER-OMP/ewald_omp.cpp
index ec8d708da28c48c642da3c12af2b54a6a04498bd..d5480d2a9f5895a27513a7e0774160e1eab8258d 100644
--- a/src/USER-OMP/ewald_omp.cpp
+++ b/src/USER-OMP/ewald_omp.cpp
@@ -15,18 +15,18 @@
    Contributing authors: Roy Pollock (LLNL), Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "ewald_omp.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "memory.h"
-#include "timer.h"
 #include "math_const.h"
-
+#include "memory.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/fix_nh_asphere_omp.cpp b/src/USER-OMP/fix_nh_asphere_omp.cpp
index 9c7317bebd192a5fcf41b6d7db21ec11fecae857..26cad769ec24e22249fd27e662bab93a79fb76fd 100644
--- a/src/USER-OMP/fix_nh_asphere_omp.cpp
+++ b/src/USER-OMP/fix_nh_asphere_omp.cpp
@@ -15,19 +15,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cstring>
-#include <cstdlib>
-#include <cmath>
-#include "math_extra.h"
 #include "fix_nh_asphere_omp.h"
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
 #include "compute.h"
-#include "group.h"
-#include "memory.h"
 #include "error.h"
+#include "math_extra.h"
 
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/USER-OMP/fix_omp.cpp b/src/USER-OMP/fix_omp.cpp
index 47757c4ec36186c94716e9a4fc859f2b3277ba82..f3c86a77462fbff0151071431665d983fc573759 100644
--- a/src/USER-OMP/fix_omp.cpp
+++ b/src/USER-OMP/fix_omp.cpp
@@ -16,7 +16,9 @@
    OpenMP based threading support for LAMMPS
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
+#include "fix_omp.h"
+#include "thr_data.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
@@ -25,10 +27,6 @@
 #include "neigh_request.h"
 #include "universe.h"
 #include "update.h"
-#include "timer.h"
-
-#include "fix_omp.h"
-#include "thr_data.h"
 
 #include "pair_hybrid.h"
 #include "bond_hybrid.h"
@@ -39,6 +37,7 @@
 
 #include <cstring>
 
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp
index b0573dfa971151ce4aa05d2c3ef56dcf2f0f7e84..5b2ee884200ae5ba477dd6c4a7576f9549baabfc 100644
--- a/src/USER-OMP/fix_qeq_comb_omp.cpp
+++ b/src/USER-OMP/fix_qeq_comb_omp.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_comb_omp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "pair_comb.h"
diff --git a/src/USER-OMP/fix_qeq_reax_omp.cpp b/src/USER-OMP/fix_qeq_reax_omp.cpp
index a10d3127a9a9c7992ca61c4b931a2c80e320d86d..ef0f918cbf595a4e51fe2aa98304f7039ba81a5b 100644
--- a/src/USER-OMP/fix_qeq_reax_omp.cpp
+++ b/src/USER-OMP/fix_qeq_reax_omp.cpp
@@ -32,7 +32,7 @@
  ------------------------------------------------------------------------- */
 
 #include "fix_qeq_reax_omp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "pair_reaxc.h"
 #include "atom.h"
diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp
index 63084fcc9ef023f38f844b71d3c2b2efdd913514..d56b633bd049f6c4c81d7d1693a13676cfbb1b2a 100644
--- a/src/USER-OMP/fix_rigid_nh_omp.cpp
+++ b/src/USER-OMP/fix_rigid_nh_omp.cpp
@@ -15,10 +15,8 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "fix_rigid_nh_omp.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
@@ -29,18 +27,20 @@
 #include "error.h"
 #include "force.h"
 #include "kspace.h"
+#include "math_const.h"
+#include "math_extra.h"
 #include "modify.h"
+#include "rigid_const.h"
 #include "update.h"
-#include "timer.h"
 
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
 
-#include "math_extra.h"
-#include "math_const.h"
-#include "rigid_const.h"
-
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
diff --git a/src/USER-OMP/fix_rigid_omp.cpp b/src/USER-OMP/fix_rigid_omp.cpp
index 9f78f6dc260c687d19d163d1d76c168f01c1a28d..62f853d23b497f975c7d6443db6743201e05c79e 100644
--- a/src/USER-OMP/fix_rigid_omp.cpp
+++ b/src/USER-OMP/fix_rigid_omp.cpp
@@ -17,7 +17,7 @@
 
 #include "omp_compat.h"
 #include "fix_rigid_omp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/USER-OMP/fix_rigid_small_omp.cpp b/src/USER-OMP/fix_rigid_small_omp.cpp
index 227b0e1f8a9a0f1c40a79aa3300f181f16d93d29..f720dd617eafe57b5e44235558e7bae46bedb6ed 100644
--- a/src/USER-OMP/fix_rigid_small_omp.cpp
+++ b/src/USER-OMP/fix_rigid_small_omp.cpp
@@ -24,7 +24,7 @@
 #include "atom_vec_tri.h"
 #include "comm.h"
 #include "domain.h"
-#include "timer.h"
+
 
 #if defined(_OPENMP)
 #include <omp.h>
diff --git a/src/USER-OMP/improper_class2_omp.cpp b/src/USER-OMP/improper_class2_omp.cpp
index 8927980951443a29167349f1b7aa4ca3a9e631b6..05fc8e44756323c2620d58e5f7355077e5a73bcc 100644
--- a/src/USER-OMP/improper_class2_omp.cpp
+++ b/src/USER-OMP/improper_class2_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/improper_cossq_omp.cpp b/src/USER-OMP/improper_cossq_omp.cpp
index 72d76e8c42190cf54ead303aa64af4d51f284713..e2a43c58c4132b5156f7f803f880d208542e7522 100644
--- a/src/USER-OMP/improper_cossq_omp.cpp
+++ b/src/USER-OMP/improper_cossq_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/improper_cvff_omp.cpp b/src/USER-OMP/improper_cvff_omp.cpp
index e9ff4bfc73e0a23fd694641689761188170238c5..715819cfb92e2410d1c2c062d308244a80b3f374 100644
--- a/src/USER-OMP/improper_cvff_omp.cpp
+++ b/src/USER-OMP/improper_cvff_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/improper_fourier_omp.cpp b/src/USER-OMP/improper_fourier_omp.cpp
index 0671bdc375335ab6b2478438a94e813634106cee..93dfb9bc992a097c8379d7771f99a7ca79e5e92d 100644
--- a/src/USER-OMP/improper_fourier_omp.cpp
+++ b/src/USER-OMP/improper_fourier_omp.cpp
@@ -15,18 +15,20 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "improper_fourier_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "timer.h"
+#include "error.h"
 #include "force.h"
+#include "neighbor.h"
+#include "suffix.h"
+
 #include "update.h"
-#include "error.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define TOLERANCE 0.05
diff --git a/src/USER-OMP/improper_harmonic_omp.cpp b/src/USER-OMP/improper_harmonic_omp.cpp
index 8bef42bf23bce154e9acf3af9a13d6af8ee4382c..6bb76871b2975ad46f2a9f5a1127f8c760f11aa9 100644
--- a/src/USER-OMP/improper_harmonic_omp.cpp
+++ b/src/USER-OMP/improper_harmonic_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/improper_ring_omp.cpp b/src/USER-OMP/improper_ring_omp.cpp
index 4ba67aab700787be50722f3aaff6d94123e71708..51ea5e5198e796340e75501089fe86a8daeeb005 100644
--- a/src/USER-OMP/improper_ring_omp.cpp
+++ b/src/USER-OMP/improper_ring_omp.cpp
@@ -15,17 +15,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "improper_ring_omp.h"
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "timer.h"
 #include "force.h"
 #include "math_special.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
 
diff --git a/src/USER-OMP/improper_umbrella_omp.cpp b/src/USER-OMP/improper_umbrella_omp.cpp
index bf466afb19a8f8ff554a9bb9e888bc6abf717222..0c9befade6a34076571e8901511383b1e1bfa84f 100644
--- a/src/USER-OMP/improper_umbrella_omp.cpp
+++ b/src/USER-OMP/improper_umbrella_omp.cpp
@@ -21,7 +21,7 @@
 #include "atom.h"
 #include "comm.h"
 #include "neighbor.h"
-#include "timer.h"
+
 #include "force.h"
 #include "update.h"
 #include "error.h"
diff --git a/src/USER-OMP/msm_cg_omp.cpp b/src/USER-OMP/msm_cg_omp.cpp
index 524850eb634556d897c89ab88e078ace181f2f17..c42aa8e0c14f7292f7ca584eac4a1e25ec9d7798 100644
--- a/src/USER-OMP/msm_cg_omp.cpp
+++ b/src/USER-OMP/msm_cg_omp.cpp
@@ -16,24 +16,24 @@
    Original MSM class by: Paul Crozier, Stan Moore, Stephen Bond, (all SNL)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "msm_cg_omp.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdio>
-#include <cstring>
 
 #include "atom.h"
-#include "gridcomm.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"
-#include "neighbor.h"
+#include "gridcomm.h"
 #include "memory.h"
+#include "neighbor.h"
 #include "thr_omp.h"
-#include "timer.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
+#if defined(_OPENMP)
+#include <omp.h>
+#endif
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-OMP/msm_omp.cpp b/src/USER-OMP/msm_omp.cpp
index 26892267253c735e9f49bae854f97ee85c6c55fa..783ebb40f1eca31a065b833de1b01d734040ae9f 100644
--- a/src/USER-OMP/msm_omp.cpp
+++ b/src/USER-OMP/msm_omp.cpp
@@ -15,14 +15,15 @@
    Contributing authors: Axel Kohlmeyer (Temple U), Stan Moore (SNL)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "msm_omp.h"
-#include <cstring>
+
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
-#include "timer.h"
 
+#include <cstring>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/pair_adp_omp.cpp b/src/USER-OMP/pair_adp_omp.cpp
index 63a539c93c7ac3806ec9e4da80c031ff7290af3c..97d94e55130c1fa65989ee1527844a5341d6b416 100644
--- a/src/USER-OMP/pair_adp_omp.cpp
+++ b/src/USER-OMP/pair_adp_omp.cpp
@@ -12,19 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstring>
 
 #include "pair_adp_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_agni_omp.cpp b/src/USER-OMP/pair_agni_omp.cpp
index b61bf52e4ee8009471d902a56e2f6a58aa7e1f3e..de6903aab90617456b42a75405a9715f8db465b8 100644
--- a/src/USER-OMP/pair_agni_omp.cpp
+++ b/src/USER-OMP/pair_agni_omp.cpp
@@ -12,21 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstring>
-#include <stdint.h> // <cstdint> requires C++-11
 #include "pair_agni_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "math_special.h"
 #include "math_const.h"
-
+#include "math_special.h"
+#include "neigh_list.h"
 #include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
 
diff --git a/src/USER-OMP/pair_airebo_morse_omp.cpp b/src/USER-OMP/pair_airebo_morse_omp.cpp
index 5d5ac0b885bfaeccd9f714d7c3130d94d583784d..6977842af211cb7a86cc014f59bd95266de054e4 100644
--- a/src/USER-OMP/pair_airebo_morse_omp.cpp
+++ b/src/USER-OMP/pair_airebo_morse_omp.cpp
@@ -12,8 +12,6 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_airebo_morse_omp.h"
-#include "error.h"
-#include "force.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp
index 25d6c35174f0282730457f8bea3a1d964bf6c210..837734d6e493cde3f6defc3c55d9d151571da933 100644
--- a/src/USER-OMP/pair_airebo_omp.cpp
+++ b/src/USER-OMP/pair_airebo_omp.cpp
@@ -12,24 +12,24 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_airebo_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
-#include "force.h"
+#include "math_special.h"
 #include "memory.h"
 #include "my_page.h"
-#include "math_special.h"
-#include "neighbor.h"
 #include "neigh_list.h"
+#include "suffix.h"
+
+#include <cmath>
 
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
 
-#include "suffix.h"
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
 
diff --git a/src/USER-OMP/pair_beck_omp.cpp b/src/USER-OMP/pair_beck_omp.cpp
index bb41334153a0dace309f964afe4b2438d3601aa9..01e33dc5c519d791d4a27c28ae4ed5d5ae738b64 100644
--- a/src/USER-OMP/pair_beck_omp.cpp
+++ b/src/USER-OMP/pair_beck_omp.cpp
@@ -20,7 +20,7 @@
 #include "force.h"
 #include "neigh_list.h"
 #include "math_special.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_born_coul_long_omp.cpp b/src/USER-OMP/pair_born_coul_long_omp.cpp
index 7f92ab6734b60470b3bf327bfbc8af9497c8f17f..b410c998e10139b113b4f43e4de48464d694b549 100644
--- a/src/USER-OMP/pair_born_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_born_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_born_coul_msm_omp.cpp b/src/USER-OMP/pair_born_coul_msm_omp.cpp
index eec17658597179e267d7532564b760da6bfc1aa1..4adba396e8c6199a59b492c6c6e2e76b6f59efc5 100644
--- a/src/USER-OMP/pair_born_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_msm_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_born_coul_msm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.cpp b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
index ffa069ec4e62b87d0912f5b89da55c84684cc102..9bc6507c6a5fe78d221205b41f009f3d3cb011f7 100644
--- a/src/USER-OMP/pair_born_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_born_coul_wolf_omp.cpp
@@ -20,7 +20,7 @@
 #include "force.h"
 #include "neigh_list.h"
 #include "math_const.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_born_omp.cpp b/src/USER-OMP/pair_born_omp.cpp
index aaac28d07cc7a00c6d5f6db8e16d8b71216debb0..e74f0139c18d6ba050a84f23ce467ce069b21663 100644
--- a/src/USER-OMP/pair_born_omp.cpp
+++ b/src/USER-OMP/pair_born_omp.cpp
@@ -19,7 +19,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_brownian_omp.cpp b/src/USER-OMP/pair_brownian_omp.cpp
index ca28fa14bb4c32a396d46582eab9651b59079711..b7b82c3dac1ab38c059020a339cb8f4a22e9b1c9 100644
--- a/src/USER-OMP/pair_brownian_omp.cpp
+++ b/src/USER-OMP/pair_brownian_omp.cpp
@@ -12,26 +12,25 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pair_brownian_omp.h"
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_wall.h"
 #include "force.h"
 #include "input.h"
-#include "neighbor.h"
+#include "math_const.h"
+#include "math_special.h"
 #include "neigh_list.h"
+#include "random_mars.h"
+#include "suffix.h"
 #include "update.h"
 #include "variable.h"
-#include "random_mars.h"
-#include "math_const.h"
-#include "math_special.h"
-#include "timer.h"
 
-#include "fix_wall.h"
+#include <cmath>
 
-#include "suffix.h"
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pair_brownian_poly_omp.cpp b/src/USER-OMP/pair_brownian_poly_omp.cpp
index 939bc223eb6642457c403a2254b239e2c217dbb1..4d8b4572810f727a68a06066d4ebfcf9dc48624e 100644
--- a/src/USER-OMP/pair_brownian_poly_omp.cpp
+++ b/src/USER-OMP/pair_brownian_poly_omp.cpp
@@ -12,25 +12,25 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pair_brownian_poly_omp.h"
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_wall.h"
 #include "force.h"
 #include "input.h"
-#include "neighbor.h"
+#include "math_const.h"
+#include "math_special.h"
 #include "neigh_list.h"
+#include "random_mars.h"
+#include "suffix.h"
 #include "update.h"
 #include "variable.h"
-#include "random_mars.h"
-#include "fix_wall.h"
 
-#include "math_const.h"
-#include "math_special.h"
+#include <cmath>
 
-#include "suffix.h"
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pair_buck_coul_cut_omp.cpp b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
index 4154c1281c94514153dd45478c419e0e61cb81d1..1c433f8083825b954209c7af307729620edcdd24 100644
--- a/src/USER-OMP/pair_buck_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_buck_coul_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_buck_coul_long_omp.cpp b/src/USER-OMP/pair_buck_coul_long_omp.cpp
index 1be2b7272fbf08a422e57d5f99e95a1a4c88316d..264073a07e507f093e5f1befc6e7ca1441ef7ec3 100644
--- a/src/USER-OMP/pair_buck_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_buck_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.cpp b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
index b26243b19afe6ad311f3a32edb700b92261078c1..631a1ee61d90d97b04d8f6cc7184d4ba4dc4a66c 100644
--- a/src/USER-OMP/pair_buck_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_buck_coul_msm_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_buck_coul_msm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
index a2e34b9a1bfa401b0952cf2c8362fc7a689a4c84..00ab1c248c571085c81f95a0f6c1c1389bc45f3e 100644
--- a/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_buck_long_coul_long_omp.cpp
@@ -11,18 +11,19 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
-
-#include "omp_compat.h"
-#include <cmath>
-#include "math_vector.h"
 #include "pair_buck_long_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "force.h"
-
+#include "math_vector.h"
+#include "neigh_list.h"
 #include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_buck_omp.cpp b/src/USER-OMP/pair_buck_omp.cpp
index fc85d79c81efabff1cf752df9afe086319c8d046..bddacaf5b5cc2efe5888fafe632ce987fc93b42e 100644
--- a/src/USER-OMP/pair_buck_omp.cpp
+++ b/src/USER-OMP/pair_buck_omp.cpp
@@ -19,7 +19,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_colloid_omp.cpp b/src/USER-OMP/pair_colloid_omp.cpp
index cce588f51694eaf33fc118b31d24efa84fe3df09..94325232fcbfb174215deab3bcf1c48209ade5ce 100644
--- a/src/USER-OMP/pair_colloid_omp.cpp
+++ b/src/USER-OMP/pair_colloid_omp.cpp
@@ -12,18 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_colloid_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
 #include "math_special.h"
-
+#include "neigh_list.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
 
diff --git a/src/USER-OMP/pair_comb_omp.cpp b/src/USER-OMP/pair_comb_omp.cpp
index 8912cbc2432d35140c4d4791f054c308384b8548..9a0155d6d38cb6528789c50f616971c783a297b2 100644
--- a/src/USER-OMP/pair_comb_omp.cpp
+++ b/src/USER-OMP/pair_comb_omp.cpp
@@ -12,19 +12,21 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_comb_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "group.h"
-#include "force.h"
 #include "memory.h"
 #include "my_page.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
+#if defined(_OPENMP)
+#include <omp.h>
+#endif
 using namespace LAMMPS_NS;
 
 #define MAXNEIGH 24
diff --git a/src/USER-OMP/pair_coul_cut_omp.cpp b/src/USER-OMP/pair_coul_cut_omp.cpp
index 69eb9ac0f3a99d582f72081ea8032962145c6675..57b821cb8bc71d76bbbd6a1a023b460e82203e65 100644
--- a/src/USER-OMP/pair_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_omp.cpp
@@ -19,7 +19,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
index 89222903ec8d7bf89cfad2f23abcd1d31a13c0dc..f8b3a36e394cea86c9f8fe423ff091d0f98906b3 100644
--- a/src/USER-OMP/pair_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_cut_soft_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_coul_cut_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_coul_debye_omp.cpp b/src/USER-OMP/pair_coul_debye_omp.cpp
index c22f7340c4f1602f8d21a13d680672ad815bba2b..1bb8676998d17ba757171c361ccfc6deab3cb0bf 100644
--- a/src/USER-OMP/pair_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_coul_debye_omp.cpp
@@ -19,7 +19,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_coul_diel_omp.cpp b/src/USER-OMP/pair_coul_diel_omp.cpp
index 656cdc9421f6b71dfd9684fbb5ac647700223f97..62f258042681edb5c92255eb1c09eff0499b1402 100644
--- a/src/USER-OMP/pair_coul_diel_omp.cpp
+++ b/src/USER-OMP/pair_coul_diel_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_coul_diel_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_coul_dsf_omp.cpp b/src/USER-OMP/pair_coul_dsf_omp.cpp
index ddcc8dbeb08d423636efa38adca8bccaa4cda3cb..3a8db4563498b2f67cf2941167ccf75c03e16a0c 100644
--- a/src/USER-OMP/pair_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_coul_dsf_omp.cpp
@@ -19,7 +19,7 @@
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
-#include "timer.h"
+
 #include "suffix.h"
 #include "math_const.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_coul_long_omp.cpp b/src/USER-OMP/pair_coul_long_omp.cpp
index 6c9b9d034d0f22caf1de10c277bdae4d5daa8fde..92cb51f7a484346eb11adf2c13241c8e7b995d2f 100644
--- a/src/USER-OMP/pair_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_coul_long_soft_omp.cpp b/src/USER-OMP/pair_coul_long_soft_omp.cpp
index ff3267fb38cd44927cf94f351b14fe32640ec82f..28ba13d5cfb8019c27f9d6f3a5a64ef4b1cf309e 100644
--- a/src/USER-OMP/pair_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_coul_long_soft_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_coul_long_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_coul_msm_omp.cpp b/src/USER-OMP/pair_coul_msm_omp.cpp
index 32a657e2867d5e56c44ae8deb2cb4d88f7249086..e907d63eb17d27796e0fc7bdb858c24bc1f0b3a7 100644
--- a/src/USER-OMP/pair_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_coul_msm_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_coul_msm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_coul_wolf_omp.cpp b/src/USER-OMP/pair_coul_wolf_omp.cpp
index d0f6fdb1255ad72dee20593a2b66afd4c57ab811..71e8148a50e19714967756b5def81eb0e4e82262 100644
--- a/src/USER-OMP/pair_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_coul_wolf_omp.cpp
@@ -20,7 +20,7 @@
 #include "force.h"
 #include "neigh_list.h"
 #include "math_const.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_dpd_omp.cpp b/src/USER-OMP/pair_dpd_omp.cpp
index f3a1c29a707068463b01d5476d72f44103a37d69..6e3da77cbe6bb8164d586998f6fce380839822df 100644
--- a/src/USER-OMP/pair_dpd_omp.cpp
+++ b/src/USER-OMP/pair_dpd_omp.cpp
@@ -21,7 +21,7 @@
 #include "neigh_list.h"
 #include "update.h"
 #include "random_mars.h"
-#include "timer.h"
+
 
 #include "suffix.h"
 using namespace LAMMPS_NS;
diff --git a/src/USER-OMP/pair_dpd_tstat_omp.cpp b/src/USER-OMP/pair_dpd_tstat_omp.cpp
index 06e80274bd9797968267a64b89cc0672fc89b40e..823367109b2ec8550fbc1f0dc310c4d0baa6a62a 100644
--- a/src/USER-OMP/pair_dpd_tstat_omp.cpp
+++ b/src/USER-OMP/pair_dpd_tstat_omp.cpp
@@ -12,18 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_dpd_tstat_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "update.h"
 #include "random_mars.h"
-
 #include "suffix.h"
+#include "update.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EPSILON 1.0e-10
diff --git a/src/USER-OMP/pair_eam_alloy_omp.cpp b/src/USER-OMP/pair_eam_alloy_omp.cpp
index 3e0e423f3dbb3b33bcc02bf622b09e0764d2b0b7..c7559420bc06800657da9b157d162d1e410157ef 100644
--- a/src/USER-OMP/pair_eam_alloy_omp.cpp
+++ b/src/USER-OMP/pair_eam_alloy_omp.cpp
@@ -15,18 +15,16 @@
    Contributing authors: Stephen Foiles (SNL), Murray Daw (SNL)
 ------------------------------------------------------------------------- */
 
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_eam_alloy_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-OMP/pair_eam_fs_omp.cpp b/src/USER-OMP/pair_eam_fs_omp.cpp
index 76e9840a5c6e022020111cf1c95466b88981a85e..66a7581c218f5d936158a11346560b68ff43c7d9 100644
--- a/src/USER-OMP/pair_eam_fs_omp.cpp
+++ b/src/USER-OMP/pair_eam_fs_omp.cpp
@@ -15,18 +15,16 @@
    Contributing authors: Tim Lau (MIT)
 ------------------------------------------------------------------------- */
 
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_eam_fs_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "tokenizer.h"
+#include "memory.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-OMP/pair_eam_omp.cpp b/src/USER-OMP/pair_eam_omp.cpp
index 60ae65def562e3587428288a05de1d27694493b1..e6ba299a4d84d8a0e56c959471dbcd290814a7a0 100644
--- a/src/USER-OMP/pair_eam_omp.cpp
+++ b/src/USER-OMP/pair_eam_omp.cpp
@@ -12,19 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstring>
-
 #include "pair_eam_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_edip_omp.cpp b/src/USER-OMP/pair_edip_omp.cpp
index 0e59674b0e5fbc0347e1f6570af3a64e3a0af423..864ff68f7a375bb3380b85880036f82ea6435b48 100644
--- a/src/USER-OMP/pair_edip_omp.cpp
+++ b/src/USER-OMP/pair_edip_omp.cpp
@@ -12,18 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_edip_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
 using namespace LAMMPS_NS;
 
+#include <cmath>
+
+#include "omp_compat.h"
 #define GRIDDENSITY 8000
 #define GRIDSTART 0.1
 
diff --git a/src/USER-OMP/pair_eim_omp.cpp b/src/USER-OMP/pair_eim_omp.cpp
index 02b765a956a5113ce39598a8952ccacff4e981e7..74b460a788b28d621c7d1052c54b3b261506319e 100644
--- a/src/USER-OMP/pair_eim_omp.cpp
+++ b/src/USER-OMP/pair_eim_omp.cpp
@@ -12,19 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstring>
-
 #include "pair_eim_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_gauss_cut_omp.cpp b/src/USER-OMP/pair_gauss_cut_omp.cpp
index 6d5344701d914a3bd2928da9b29053118ea759eb..a453915738fb3aea8bcad21c2a5650957c7cd05a 100644
--- a/src/USER-OMP/pair_gauss_cut_omp.cpp
+++ b/src/USER-OMP/pair_gauss_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_gauss_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_gauss_omp.cpp b/src/USER-OMP/pair_gauss_omp.cpp
index 103a76661418415c4ebce98f7320cb4d341cbaf9..3e5777e4ecccc4a6cbe2f67a43263ac6865e2452 100644
--- a/src/USER-OMP/pair_gauss_omp.cpp
+++ b/src/USER-OMP/pair_gauss_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_gauss_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EPSILON 1.0e-10
diff --git a/src/USER-OMP/pair_gayberne_omp.cpp b/src/USER-OMP/pair_gayberne_omp.cpp
index f0fd60a3096353f55906b3a241787a632c6d3328..991c72a9be0b9e590af9936aeaff13089fe39059 100644
--- a/src/USER-OMP/pair_gayberne_omp.cpp
+++ b/src/USER-OMP/pair_gayberne_omp.cpp
@@ -12,18 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_gayberne_omp.h"
-#include "math_extra.h"
+
 #include "atom.h"
-#include "comm.h"
 #include "atom_vec_ellipsoid.h"
+#include "comm.h"
 #include "force.h"
-#include "neighbor.h"
+#include "math_extra.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
index bb8bbcc98458f9e8e50a82e63c5ae6003382a50d..338eb5245330505546985e3e9d903b9da714c8ab 100644
--- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
@@ -12,22 +12,22 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_hbond_dreiding_lj_omp.h"
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-
 #include "math_const.h"
 #include "math_special.h"
-
+#include "molecule.h"
+#include "neigh_list.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
index 4ad3a8f057013904f3d5bf1e5fd51f2298427a5e..5094d5c1938a6def74c1f02e31359aeac4221587 100644
--- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
+++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
@@ -12,22 +12,22 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_hbond_dreiding_morse_omp.h"
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-
 #include "math_const.h"
 #include "math_special.h"
-
+#include "molecule.h"
+#include "neigh_list.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pair_lj96_cut_omp.cpp b/src/USER-OMP/pair_lj96_cut_omp.cpp
index adf0aac9b20c4555a6b13165a0e699d801c1fcb4..5aeec25d13d334834c47e99ed46ca712ded7021d 100644
--- a/src/USER-OMP/pair_lj96_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj96_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj96_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
index f357fd9068b17b9038f4995913dc9b70edfb39a0..3ff02b61093a57480a94c78d49479a74b4ccca79 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
@@ -12,16 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_charmm_coul_charmm_implicit_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
index 55227e2e100921711479906d69a84aa1737d35d1..77caf63f18dec62c33fb2a7766795a514d949e20 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_charmm_coul_charmm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
index 437bd183ed5c948fedaaa581e3cb2dc91203bf4a..56cf0a68dd5fdb10250d7eb770e476134cb19e84 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_charmm_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
index b32f108098d6cad14ed1581d88b948514c7e2a66..e19632dc7ef8c7f5005c93b02b8deb09c2b0c181 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_charmm_coul_long_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
index 0000e63cda7e1dc17e5decc48d3bae17fe4688b3..a39ef0aa81d7f3b1b58b5acc277b2ded5a92787b 100644
--- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_charmm_coul_msm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
index 59a6841c9ef6e3acdbaf858cbe67b274fc07ad18..63fb4fe52978910fba7b4f8b5c7195f69c195964 100644
--- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_class2_coul_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
index 480e2adae011e56cc29ff5db469969243131607b..f618f7f423b8c1db2bfd3ac4393aac4f3a9c195c 100644
--- a/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_class2_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_lj_class2_omp.cpp b/src/USER-OMP/pair_lj_class2_omp.cpp
index 2b91e10cfa9a86002c7ef4b2de5df109cd107366..39cc320e44934c4e396df5315fa6c2bb335ad6e0 100644
--- a/src/USER-OMP/pair_lj_class2_omp.cpp
+++ b/src/USER-OMP/pair_lj_class2_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_class2_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cubic_omp.cpp b/src/USER-OMP/pair_lj_cubic_omp.cpp
index 778c25393d37f1cf8c9b599aa1e487164d3c6cd6..27f6132491e43966fa150f6034f20b179cb2de6c 100644
--- a/src/USER-OMP/pair_lj_cubic_omp.cpp
+++ b/src/USER-OMP/pair_lj_cubic_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cubic_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace PairLJCubicConstants;
 
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
index d560b803f1650dec75b2967292b314b7238392d2..2f46e0bfe70789c68e4e2a5f74bf0ddd55adca64 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
index 1c88600e7a6970e4782ad8df6ba70264898510f1..03f0852b064348945ef56955825e4aaacb1aeab0 100644
--- a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_cut_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
index 79754e704b2c8e3b15b584883a12f3b45fc48f01..82031f91ab82943dc8c9330958e74853d10816f2 100644
--- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_debye_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
index ec69a1a1ca92d332c11b2f3989d2084b63aa8f58..7ab6f31b3fa523aa0d577b55ee829c9ec82366ce 100644
--- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.cpp
@@ -12,17 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_dsf_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
+#include "math_const.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
-#include "math_const.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
index 618986389c799f1ed6ad1011a256212b8894b8ae..c7b6de80226a382a53849193a29873968f118c2e 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
index ce84ba01c3baf76d44d914b9723a45ee959baeec..6e804bd8aebb159a3b21e5e2d6fbd975ee3e2bf9 100644
--- a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_long_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
index 58e5cee0c21857d98d18dc9363eb4d1586d27a8d..0e6d11327afcfe70150b18bf4bfedcfbe8ce7e23 100644
--- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_msm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
index 4111c5b22c122e34cf9e99fac9669f1cbfe561fc..0e9a333121a9adf8cb4d221992b204a0bd36702c 100644
--- a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.cpp
@@ -12,17 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_coul_wolf_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
+#include "math_const.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
-#include "math_const.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
index 7d5d25c39bf622f119fdbcf4aff16e2b85c9c1d4..2cc915a43532f3097a40cab8507c3680cf8f775f 100644
--- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_dipole_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_omp.cpp b/src/USER-OMP/pair_lj_cut_omp.cpp
index 3e7e92de21aed2e6fc0685698d5c05b5a7536885..2aa71026e3691acdec02e69f84fe250140738b31 100644
--- a/src/USER-OMP/pair_lj_cut_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_omp.cpp
@@ -12,16 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_soft_omp.cpp b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
index 5064c4705e8de478160ee43c031e3565a606a5ed..406c5f41d9ebb98c7d24634e759a25652e71c8cb 100644
--- a/src/USER-OMP/pair_lj_cut_soft_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_soft_omp.cpp
@@ -12,16 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_cut_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
index 72a7d5f16a293b9b12b75a131c42fc572a74fd5b..b921c8f1c169be70b06731bccef8a2236fa766d9 100644
--- a/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.cpp
@@ -15,25 +15,21 @@
    Contributing author: Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pair_lj_cut_thole_long_omp.h"
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
 #include "fix_drude.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "math_const.h"
-#include "error.h"
+#include "neigh_list.h"
 #include "suffix.h"
-#include "timer.h"
 
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.h b/src/USER-OMP/pair_lj_cut_thole_long_omp.h
index dc64c5c3a29eaa5f1653ffee87b75cdee6cac1f2..212f3c4e2ec8d76bef9efb6da23bd9a3bc852333 100644
--- a/src/USER-OMP/pair_lj_cut_thole_long_omp.h
+++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.h
@@ -20,7 +20,6 @@ PairStyle(lj/cut/thole/long/omp,PairLJCutTholeLongOMP)
 #ifndef LMP_PAIR_LJ_CUT_THOLE_LONG_OMP_H
 #define LMP_PAIR_LJ_CUT_THOLE_LONG_OMP_H
 
-#include "pair.h"
 #include "pair_lj_cut_thole_long.h"
 #include "thr_omp.h"
 
diff --git a/src/USER-OMP/pair_lj_expand_omp.cpp b/src/USER-OMP/pair_lj_expand_omp.cpp
index 70b5e436fa40655e1ab1617cb34fda64d04e66ef..89077ba6af6c22526ae886a8af8816209e962998 100644
--- a/src/USER-OMP/pair_lj_expand_omp.cpp
+++ b/src/USER-OMP/pair_lj_expand_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_expand_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
index 0f0a8de2ff9872cc4a6a630a69eabd9c4fee0eb0..26a6e979b496a3b575b1fc8b665a99004f0deda6 100644
--- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_gromacs_coul_gromacs_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_gromacs_omp.cpp b/src/USER-OMP/pair_lj_gromacs_omp.cpp
index ea2c9e8f557ac0111f4d33f1b6df1e33385bd376..308209153990e8f9046fb7847466dcb1be540399 100644
--- a/src/USER-OMP/pair_lj_gromacs_omp.cpp
+++ b/src/USER-OMP/pair_lj_gromacs_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_gromacs_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
index e74f48712969557f5aa0d067de387db8352d13a5..cdd62ff96eb691f7efc643a6ef9bd53168165eb4 100644
--- a/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_coul_long_omp.cpp
@@ -12,17 +12,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_long_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "math_vector.h"
 #include "force.h"
-#include "neighbor.h"
+#include "math_vector.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
index 9c8de110d7563dfc6173503343234120ca8984fa..af24e93a41ea8141a537cbff9b321d7f2e12c4da 100644
--- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.cpp
@@ -12,20 +12,21 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_long_tip4p_long_omp.h"
+
 #include "atom.h"
-#include "domain.h"
 #include "comm.h"
-#include "math_vector.h"
-#include "force.h"
-#include "neighbor.h"
+#include "domain.h"
 #include "error.h"
+#include "force.h"
 #include "memory.h"
 #include "neigh_list.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
index 4ad082cde189e2f944ee9b10dc598e38db6ad21d..4a53f2c08326f11eafd93c9932cf576708ce18b0 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_long_omp.cpp
@@ -12,18 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_sdk_coul_long_omp.h"
+#include "lj_sdk_common.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
+#include "suffix.h"
 
-#include "lj_sdk_common.h"
+#include <cmath>
 
-#include "suffix.h"
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace LJSDKParms;
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
index 4871356b184611c0750be2c29612f0ed46f0e8b9..4b89375b5b84c5c2d064275fe20880447e92a864 100644
--- a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.cpp
@@ -13,19 +13,19 @@
    This style is a simplified re-implementation of the CG/CMM pair style
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_sdk_coul_msm_omp.h"
+#include "lj_sdk_common.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
 #include "neigh_list.h"
+#include "suffix.h"
 
-#include "lj_sdk_common.h"
+#include <cmath>
 
-#include "suffix.h"
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace LJSDKParms;
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_sdk_omp.cpp b/src/USER-OMP/pair_lj_sdk_omp.cpp
index 9f0671c61c29b02f4c2807c5a85cd205afd5a8c4..d5146c6798309d00b5cd791726a0600965506003 100644
--- a/src/USER-OMP/pair_lj_sdk_omp.cpp
+++ b/src/USER-OMP/pair_lj_sdk_omp.cpp
@@ -13,18 +13,18 @@
    This style is a simplified re-implementation of the CG/CMM pair style
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_sdk_omp.h"
+#include "lj_sdk_common.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
+#include "suffix.h"
 
-#include "lj_sdk_common.h"
+#include <cmath>
 
-#include "suffix.h"
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace LJSDKParms;
 
diff --git a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
index 1adaf939531c8cb95ef5f6b6ec1b8b44225ca319..8828b40b98486845e40339f441662149915a6f65 100644
--- a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
+++ b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_sf_dipole_sf_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
index 497c2c3a4365b06d84aea4b1cb648b6c68f9f913..2c0c0281893b7e9c665496e8e158138d272f12ce 100644
--- a/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_linear_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_smooth_linear_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lj_smooth_omp.cpp b/src/USER-OMP/pair_lj_smooth_omp.cpp
index bdb9b3141e0940336bf1dde727d3efd8fb23e02f..0b4ea4e5f82172710138bc2ee70e688f623276a6 100644
--- a/src/USER-OMP/pair_lj_smooth_omp.cpp
+++ b/src/USER-OMP/pair_lj_smooth_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lj_smooth_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_lubricate_omp.cpp b/src/USER-OMP/pair_lubricate_omp.cpp
index 9db42395870645edf1e6fa836e0337ac69fc70b1..caf5a11124e5821ab4dde9d422f3beed4fa9e788 100644
--- a/src/USER-OMP/pair_lubricate_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_omp.cpp
@@ -12,24 +12,22 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_lubricate_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_wall.h"
 #include "force.h"
 #include "input.h"
-#include "neighbor.h"
+#include "math_const.h"
 #include "neigh_list.h"
-#include "update.h"
+#include "suffix.h"
 #include "variable.h"
-#include "random_mars.h"
-#include "fix_wall.h"
-#include "fix_deform.h"
-#include "math_const.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_lubricate_poly_omp.cpp b/src/USER-OMP/pair_lubricate_poly_omp.cpp
index dc143a316027c45fe299419a1aa887b99e319415..feb110194f55e0231619f8cd5f84c18efe57bd3b 100644
--- a/src/USER-OMP/pair_lubricate_poly_omp.cpp
+++ b/src/USER-OMP/pair_lubricate_poly_omp.cpp
@@ -12,24 +12,22 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pair_lubricate_poly_omp.h"
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_wall.h"
 #include "force.h"
 #include "input.h"
-#include "neighbor.h"
+#include "math_const.h"
 #include "neigh_list.h"
-#include "update.h"
+#include "suffix.h"
 #include "variable.h"
-#include "random_mars.h"
-#include "fix_wall.h"
-#include "fix_deform.h"
-#include "math_const.h"
 
-#include "suffix.h"
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_meam_spline_omp.cpp b/src/USER-OMP/pair_meam_spline_omp.cpp
index 19fb09dd7b5ea992921ccde3f410be3783404a63..782371e843815205cf9493e534f503bf8fe5aa39 100644
--- a/src/USER-OMP/pair_meam_spline_omp.cpp
+++ b/src/USER-OMP/pair_meam_spline_omp.cpp
@@ -12,19 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cstring>
-
 #include "pair_meam_spline_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
+#include "error.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_morse_omp.cpp b/src/USER-OMP/pair_morse_omp.cpp
index 1f566dbd42acd20af4bcb1d628150c1ef8c4408a..48687781ef70ba1f4049226b34f4c11aea9862b5 100644
--- a/src/USER-OMP/pair_morse_omp.cpp
+++ b/src/USER-OMP/pair_morse_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_morse_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
index f2ab4170281cf9fd249c08ab7ecdd369b8722bc2..220fb9481d841030fa4a2ed58ee4a97197e25f7f 100644
--- a/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
+++ b/src/USER-OMP/pair_morse_smooth_linear_omp.cpp
@@ -13,16 +13,17 @@
    Most code borrowed from pair_morse_omp.cpp
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_morse_smooth_linear_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 
diff --git a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
index 4326434450b091148521e150252df0215ebacb65..1cfe576a32d796afde687a1299a83ba029fe03dc 100644
--- a/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_nm_cut_coul_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
index 970b383f7e7de84272fcdb14e55c64af367c02d9..d9e123182703266f17c06e153974c7473043b40a 100644
--- a/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_coul_long_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_nm_cut_coul_long_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define EWALD_F   1.12837917
diff --git a/src/USER-OMP/pair_nm_cut_omp.cpp b/src/USER-OMP/pair_nm_cut_omp.cpp
index a937668fdd3831b9db410ae946e32592672e0e1b..a232da1a9017f4f6b2f9e30e07fff498a192e9a7 100644
--- a/src/USER-OMP/pair_nm_cut_omp.cpp
+++ b/src/USER-OMP/pair_nm_cut_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_nm_cut_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_peri_lps_omp.cpp b/src/USER-OMP/pair_peri_lps_omp.cpp
index cf29b5cab85994a35270d7522dc75ff2addaae83..9bf707ad91666b8144662f813ff82d365a375eb8 100644
--- a/src/USER-OMP/pair_peri_lps_omp.cpp
+++ b/src/USER-OMP/pair_peri_lps_omp.cpp
@@ -12,24 +12,24 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cfloat>
 #include "pair_peri_lps_omp.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
-#include "memory.h"
 #include "lattice.h"
+#include "math_const.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-#include "math_const.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_peri_pmb_omp.cpp b/src/USER-OMP/pair_peri_pmb_omp.cpp
index 1990b46fe59407cf8c411375d2e489584268e053..28df45b67f0d2ca0eb3da8fdff33cc8c860fc58c 100644
--- a/src/USER-OMP/pair_peri_pmb_omp.cpp
+++ b/src/USER-OMP/pair_peri_pmb_omp.cpp
@@ -12,23 +12,23 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
-#include <cfloat>
 #include "pair_peri_pmb_omp.h"
-#include "fix.h"
-#include "fix_peri_neigh.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
+#include "fix_peri_neigh.h"
 #include "force.h"
-#include "memory.h"
 #include "lattice.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cfloat>
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp
index 73b1373fad4a8c580e9bbb1f132a7fdaa22a43c7..dfc1f428eb81f8559d327db1808e9139fe837dc6 100644
--- a/src/USER-OMP/pair_reaxc_omp.cpp
+++ b/src/USER-OMP/pair_reaxc_omp.cpp
@@ -34,7 +34,7 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_reaxc_omp.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "update.h"
@@ -48,7 +48,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "timer.h"
+
 
 #include "reaxc_defs.h"
 #include "reaxc_types.h"
diff --git a/src/USER-OMP/pair_resquared_omp.cpp b/src/USER-OMP/pair_resquared_omp.cpp
index 557d212531b77e24907a772c3e8db586543641a4..689ff297e59d079ffc2baacad479d3883be49eb7 100644
--- a/src/USER-OMP/pair_resquared_omp.cpp
+++ b/src/USER-OMP/pair_resquared_omp.cpp
@@ -12,18 +12,16 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_resquared_omp.h"
-#include "math_extra.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "atom_vec_ellipsoid.h"
 #include "force.h"
-#include "neighbor.h"
+#include "math_extra.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_soft_omp.cpp b/src/USER-OMP/pair_soft_omp.cpp
index 85425974cccdaacf66dcbed7377ea98b3076edce..f733b5106f5f492dfe6dc2662a275a826e9a697b 100644
--- a/src/USER-OMP/pair_soft_omp.cpp
+++ b/src/USER-OMP/pair_soft_omp.cpp
@@ -12,17 +12,18 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_soft_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "math_const.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pair_sw_omp.cpp b/src/USER-OMP/pair_sw_omp.cpp
index ebe501ff8e359eb3b8ff10fb9d2786a5f269c189..c2eb4cb156949fb42f6b2d92c6120e0e61778ca9 100644
--- a/src/USER-OMP/pair_sw_omp.cpp
+++ b/src/USER-OMP/pair_sw_omp.cpp
@@ -12,17 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_sw_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_table_omp.cpp b/src/USER-OMP/pair_table_omp.cpp
index 2546bfdc9a6ea9446b8442fd3c76831c03355c57..f5fbabccabb19eac9974a694bd0b97a1def7acab 100644
--- a/src/USER-OMP/pair_table_omp.cpp
+++ b/src/USER-OMP/pair_table_omp.cpp
@@ -12,17 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_table_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "error.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
index 5e1e6b1b0e973482db8c994294be5536422fa391..83baa56e442ef36d9418cd04882afc6dbad6344e 100644
--- a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp
@@ -12,16 +12,14 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_tersoff_mod_c_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp
index aa90b883751c575bebffc0ab4338ebc8895a4def..ab2f07322de02ba4fc2a596a0f54eefefab2d3e7 100644
--- a/src/USER-OMP/pair_tersoff_mod_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp
@@ -12,16 +12,16 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_tersoff_mod_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp
index 34dbfb73b6d92176d2ed8edc5fba572a99d73983..a3677499781cb4d70600fda4ba484486829926c3 100644
--- a/src/USER-OMP/pair_tersoff_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_omp.cpp
@@ -12,17 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_tersoff_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_tersoff_table_omp.cpp b/src/USER-OMP/pair_tersoff_table_omp.cpp
index a0a7f4c810e0e7ee6d5cc35efbd028b9d45302a5..8321ad9d9ffd2aa53d0b7d8b1f1b115b96de015d 100644
--- a/src/USER-OMP/pair_tersoff_table_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_table_omp.cpp
@@ -12,18 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_tersoff_table_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "error.h"
-#include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 #define GRIDSTART 0.1
diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp
index 005cd427a90f4996fc3eea50505b2c19e9eb508b..7bb38145499de7f06c0021a297d416adf2e24d30 100644
--- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp
+++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp
@@ -16,26 +16,19 @@
                         David Farrell (NWU) - ZBL addition
 ------------------------------------------------------------------------- */
 
-#include <cmath>
-#include <cstdio>
-#include <cstdlib>
-#include <cstring>
 #include "pair_tersoff_zbl_omp.h"
-#include "atom.h"
 #include "update.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "force.h"
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
 #include "tokenizer.h"
 #include "potential_file_reader.h"
-
 #include "math_const.h"
 #include "math_special.h"
+
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pair_ufm_omp.cpp b/src/USER-OMP/pair_ufm_omp.cpp
index 605d6dd2c6c6f81e4d82751a6f2b36128ee0396a..e1c2ff457ea7d28a731ccc18606c8d834964a126 100644
--- a/src/USER-OMP/pair_ufm_omp.cpp
+++ b/src/USER-OMP/pair_ufm_omp.cpp
@@ -14,16 +14,17 @@
             Maurice de Koning (Unicamp/Brazil) - dekoning@ifi.unicamp.br
  ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_ufm_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_vashishta_omp.cpp b/src/USER-OMP/pair_vashishta_omp.cpp
index 425a06c296d0aa8bec1c65bc4be061349d0c89d6..0637fe3dfc6553d7f9f7040b22c8b6e48a128233 100644
--- a/src/USER-OMP/pair_vashishta_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_omp.cpp
@@ -12,17 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_vashishta_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
+#include "neighbor.h"
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_vashishta_table_omp.cpp b/src/USER-OMP/pair_vashishta_table_omp.cpp
index 36c86a89953cd6f7adb97c14853c9602db949ea3..9650a57e725558bbb18033afb7e97ef5e5d293b9 100644
--- a/src/USER-OMP/pair_vashishta_table_omp.cpp
+++ b/src/USER-OMP/pair_vashishta_table_omp.cpp
@@ -12,17 +12,15 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_vashishta_table_omp.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
 #include "memory.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.cpp b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
index e6ac3fa9fbe5f77ba1b1cca37a6d6071a14f7dd3..227ec0744f3f4dcf06896e1a6e50f5e17bcd747d 100644
--- a/src/USER-OMP/pair_yukawa_colloid_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_colloid_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_yukawa_colloid_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_yukawa_omp.cpp b/src/USER-OMP/pair_yukawa_omp.cpp
index f222876cb528f35447dc4697aae9622436318460..347575e2837ba8cb3a6b27272738b1bf7eecf8b8 100644
--- a/src/USER-OMP/pair_yukawa_omp.cpp
+++ b/src/USER-OMP/pair_yukawa_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_yukawa_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/USER-OMP/pair_zbl_omp.cpp b/src/USER-OMP/pair_zbl_omp.cpp
index 284ebbf09c6f9c04f760e8d13d807a2ddeca8ff8..9679a00b245de35de3e4e5e09b169d3c778c84f1 100644
--- a/src/USER-OMP/pair_zbl_omp.cpp
+++ b/src/USER-OMP/pair_zbl_omp.cpp
@@ -12,16 +12,17 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
-#include <cmath>
 #include "pair_zbl_omp.h"
+
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
-#include "neighbor.h"
 #include "neigh_list.h"
-
 #include "suffix.h"
+
+#include <cmath>
+
+#include "omp_compat.h"
 using namespace LAMMPS_NS;
 using namespace PairZBLConstants;
 
diff --git a/src/USER-OMP/pppm_cg_omp.cpp b/src/USER-OMP/pppm_cg_omp.cpp
index 31098d2675c6a6ac79886f6e3f2952de85a8979f..86997713efa1e9effa78e3c61f11f92f5e4eb155 100644
--- a/src/USER-OMP/pppm_cg_omp.cpp
+++ b/src/USER-OMP/pppm_cg_omp.cpp
@@ -15,22 +15,24 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pppm_cg_omp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "timer.h"
+#include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
-#include "suffix.h"
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/pppm_disp_omp.cpp b/src/USER-OMP/pppm_disp_omp.cpp
index aad77cffc72ff014cfe7fd40545f8a543a033303..96a2cc282e0d288a44c6ca9778e2e271c4809b92 100644
--- a/src/USER-OMP/pppm_disp_omp.cpp
+++ b/src/USER-OMP/pppm_disp_omp.cpp
@@ -16,23 +16,24 @@
                          Rolf Isele-Holder (RWTH Aachen University)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pppm_disp_omp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"
 #include "math_const.h"
-#include "timer.h"
+#include "suffix.h"
+
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
 
-#include "suffix.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pppm_disp_tip4p_omp.cpp b/src/USER-OMP/pppm_disp_tip4p_omp.cpp
index 7da4257e07106bcd2831c2e2d3407f2b1ccf6ff9..93b7a87a6103cbd5f64391e86f637ddccb1a8901 100644
--- a/src/USER-OMP/pppm_disp_tip4p_omp.cpp
+++ b/src/USER-OMP/pppm_disp_tip4p_omp.cpp
@@ -15,21 +15,24 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pppm_disp_tip4p_omp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "error.h"
 #include "force.h"
 #include "math_const.h"
+#include "suffix.h"
+
+#include <cstring>
+#include <cmath>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
-#include "suffix.h"
+
 using namespace LAMMPS_NS;
 using namespace MathConst;
 
diff --git a/src/USER-OMP/pppm_omp.cpp b/src/USER-OMP/pppm_omp.cpp
index e3e46f4de07fc2c342975fef97b9215f3e55f85b..70655885260e5e106223a1afcc12c37d665a13b1 100644
--- a/src/USER-OMP/pppm_omp.cpp
+++ b/src/USER-OMP/pppm_omp.cpp
@@ -15,19 +15,19 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pppm_omp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
 #include "force.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "timer.h"
 
+#include <cmath>
+#include <cstring>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/pppm_tip4p_omp.cpp b/src/USER-OMP/pppm_tip4p_omp.cpp
index 8bd9805f019ca5f9249a4ae07088cddf850e4c96..936f3cf31ca28e6a2e356894fe4a5faecd3fca33 100644
--- a/src/USER-OMP/pppm_tip4p_omp.cpp
+++ b/src/USER-OMP/pppm_tip4p_omp.cpp
@@ -15,11 +15,8 @@
    Contributing author: Axel Kohlmeyer (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "pppm_tip4p_omp.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
@@ -27,12 +24,16 @@
 #include "force.h"
 #include "math_const.h"
 #include "math_special.h"
-#include "timer.h"
+#include "suffix.h"
+
+#include <cstring>
+#include <cmath>
+
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
 
-#include "suffix.h"
 using namespace LAMMPS_NS;
 using namespace MathConst;
 using namespace MathSpecial;
diff --git a/src/USER-OMP/reaxc_bond_orders_omp.cpp b/src/USER-OMP/reaxc_bond_orders_omp.cpp
index d581819e00bb8e1dc4f054e2fb6e05d65e7d5c60..85a77370faad1f0e220cbc056bc33866a2bf0b49 100644
--- a/src/USER-OMP/reaxc_bond_orders_omp.cpp
+++ b/src/USER-OMP/reaxc_bond_orders_omp.cpp
@@ -27,8 +27,8 @@
   ----------------------------------------------------------------------*/
 
 #include "reaxc_bond_orders_omp.h"
-#include <mpi.h>
-#include <cmath>
+#include "reaxc_bond_orders.h"
+
 #include "fix_omp.h"
 #include "reaxc_defs.h"
 #include "pair_reaxc_omp.h"
@@ -36,6 +36,9 @@
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include <mpi.h>
+#include <cmath>
+
 #if defined(_OPENMP)
 #include  <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_bond_orders_omp.h b/src/USER-OMP/reaxc_bond_orders_omp.h
index 36be3337ad8a79d52998e139349c9c7fffc8e2ac..2027a8628eea6958904846852c9528c9097fc2a8 100644
--- a/src/USER-OMP/reaxc_bond_orders_omp.h
+++ b/src/USER-OMP/reaxc_bond_orders_omp.h
@@ -30,7 +30,6 @@
 #define __BOND_ORDERS_OMP_H_
 
 #include "reaxc_types.h"
-#include "reaxc_bond_orders.h"
 
 void Add_dBond_to_ForcesOMP( reax_system*, int, int, storage*, reax_list** );
 void Add_dBond_to_Forces_NPTOMP( reax_system *system, int, int,
diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp
index ee4670fe59bbe637a4d89ba02c14944b4a602bb1..ad6ea35eb8780702fc7f66ff545e0e374f02c4b5 100644
--- a/src/USER-OMP/reaxc_forces_omp.cpp
+++ b/src/USER-OMP/reaxc_forces_omp.cpp
@@ -26,13 +26,12 @@
   <http://www.gnu.org/licenses/>.
   ----------------------------------------------------------------------*/
 
-#include "omp_compat.h"
 #include "reaxc_forces_omp.h"
-#include <mpi.h>
-#include <cmath>
+
+#include "error.h"
 #include "fix_omp.h"
-#include "reaxc_defs.h"
 #include "pair_reaxc_omp.h"
+#include "reaxc_defs.h"
 
 #include "reaxc_bond_orders_omp.h"
 #include "reaxc_bonds_omp.h"
@@ -44,6 +43,9 @@
 #include "reaxc_valence_angles_omp.h"
 #include "reaxc_vector.h"
 
+#include <mpi.h>
+#include <cmath>
+
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
index 22d9df7702ca427508b15d2262ac67be36d0afbd..029062470d9109e305e3a223746909360571d317 100644
--- a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
+++ b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp
@@ -26,10 +26,8 @@
   <http://www.gnu.org/licenses/>.
   ----------------------------------------------------------------------*/
 
-#include "omp_compat.h"
 #include "reaxc_hydrogen_bonds_omp.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "fix_omp.h"
 #include "pair_reaxc_omp.h"
 #include "reaxc_defs.h"
@@ -38,6 +36,9 @@
 #include "reaxc_valence_angles_omp.h" // To access Calculate_dCos_ThetaOMP()
 #include "reaxc_vector.h"
 
+#include <mpi.h>
+#include <cmath>
+
 #if defined(_OPENMP)
 #include  <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_init_md_omp.cpp b/src/USER-OMP/reaxc_init_md_omp.cpp
index b0cf4a5fb8c8fb86be135c183e3e2f666ea603b7..fd216844eb5052b6ae11843638cf968bea3938be 100644
--- a/src/USER-OMP/reaxc_init_md_omp.cpp
+++ b/src/USER-OMP/reaxc_init_md_omp.cpp
@@ -27,7 +27,7 @@
   ----------------------------------------------------------------------*/
 
 #include "reaxc_init_md_omp.h"
-#include <cstdlib>
+
 #include "reaxc_defs.h"
 #include "reaxc_forces.h"
 #include "reaxc_forces_omp.h"
@@ -38,6 +38,8 @@
 #include "error.h"
 #include "fmt/format.h"
 
+#include <cstdlib>
+
 // Functions defined in reaxc_init_md.cpp
 extern int Init_MPI_Datatypes(reax_system*, storage*, mpi_datatypes*, MPI_Comm, char*);
 extern int Init_System(reax_system*, control_params*, char*);
diff --git a/src/USER-OMP/reaxc_init_md_omp.h b/src/USER-OMP/reaxc_init_md_omp.h
index 8416a768cfb767e5c11c60d00b8a2fdb355d0247..45478ec63212a8ce81a6e2070863e9c2c3bf541c 100644
--- a/src/USER-OMP/reaxc_init_md_omp.h
+++ b/src/USER-OMP/reaxc_init_md_omp.h
@@ -31,6 +31,8 @@
 
 #include "reaxc_types.h"
 
+#include <mpi.h>
+
 void InitializeOMP( reax_system*, control_params*, simulation_data*, storage*,
                  reax_list**, output_controls*, mpi_datatypes*, MPI_Comm );
 #endif
diff --git a/src/USER-OMP/reaxc_multi_body_omp.cpp b/src/USER-OMP/reaxc_multi_body_omp.cpp
index 5f4b6d4eb05f292e666806e5a5a45fccdd656809..57c056fff76bc138ef3afd1c07d422265d8614f9 100644
--- a/src/USER-OMP/reaxc_multi_body_omp.cpp
+++ b/src/USER-OMP/reaxc_multi_body_omp.cpp
@@ -27,14 +27,16 @@
   ----------------------------------------------------------------------*/
 
 #include "reaxc_multi_body_omp.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "fix_omp.h"
-#include <cstring>
 #include "pair_reaxc_omp.h"
+
 #include "reaxc_defs.h"
 #include "reaxc_list.h"
 
+#include <cmath>
+#include <cstring>
+
 #if defined(_OPENMP)
 #include  <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_nonbonded_omp.cpp b/src/USER-OMP/reaxc_nonbonded_omp.cpp
index 564088880ad6bec5d3ad5c4aa3419a76f822cb9f..3c3ca12575d3e75da976bc945baacc38efa622dd 100644
--- a/src/USER-OMP/reaxc_nonbonded_omp.cpp
+++ b/src/USER-OMP/reaxc_nonbonded_omp.cpp
@@ -27,17 +27,17 @@
   ----------------------------------------------------------------------*/
 
 #include "pair_reaxc_omp.h"
-#include "thr_data.h"
 
 #include "reaxc_defs.h"
 #include "reaxc_types.h"
 
 #include "reaxc_nonbonded.h"
 #include "reaxc_nonbonded_omp.h"
-#include "reaxc_bond_orders_omp.h"
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include <cmath>
+
 #if defined(_OPENMP)
 #include  <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_torsion_angles_omp.cpp b/src/USER-OMP/reaxc_torsion_angles_omp.cpp
index 68bacb72027f8717c97fbcc2c3580020edbcbfc4..7d567b259c9fb5c6aaabf13c77574797a4c8f785 100644
--- a/src/USER-OMP/reaxc_torsion_angles_omp.cpp
+++ b/src/USER-OMP/reaxc_torsion_angles_omp.cpp
@@ -27,7 +27,7 @@
   ----------------------------------------------------------------------*/
 
 #include "reaxc_torsion_angles_omp.h"
-#include <mpi.h>
+
 #include "fix_omp.h"
 #include "pair_reaxc_omp.h"
 
@@ -36,6 +36,8 @@
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include <cmath>
+
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/reaxc_valence_angles_omp.cpp b/src/USER-OMP/reaxc_valence_angles_omp.cpp
index 104fadbbae19be5b827f9da14c04731b37f62c7f..f9117d3a5324052d76ebd3593197ac403249b6f1 100644
--- a/src/USER-OMP/reaxc_valence_angles_omp.cpp
+++ b/src/USER-OMP/reaxc_valence_angles_omp.cpp
@@ -27,11 +27,10 @@
   ----------------------------------------------------------------------*/
 
 #include "reaxc_valence_angles_omp.h"
-#include <mpi.h>
-#include <cmath>
-#include "pair_reaxc_omp.h"
-#include "fix_omp.h"
+
 #include "error.h"
+#include "fix_omp.h"
+#include "pair_reaxc_omp.h"
 
 #include "reaxc_defs.h"
 #include "reaxc_types.h"
@@ -39,6 +38,8 @@
 #include "reaxc_list.h"
 #include "reaxc_vector.h"
 
+#include <cmath>
+
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/respa_omp.cpp b/src/USER-OMP/respa_omp.cpp
index b5e5293aa42dd871ca69252283c3d32e717d651f..b8d0af5c861c386206af9e7a832ac932163c24ff 100644
--- a/src/USER-OMP/respa_omp.cpp
+++ b/src/USER-OMP/respa_omp.cpp
@@ -15,25 +15,25 @@
    Contributing authors: Mark Stevens (SNL), Paul Crozier (SNL)
 ------------------------------------------------------------------------- */
 
-#include "omp_compat.h"
 #include "respa_omp.h"
-#include "neighbor.h"
-#include "comm.h"
+
+#include "angle.h"
 #include "atom.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "improper.h"
 #include "kspace.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "output.h"
+#include "pair.h"
 #include "update.h"
-#include "modify.h"
-#include "error.h"
-#include "timer.h"
 
+#include "omp_compat.h"
 #if defined(_OPENMP)
 #include <omp.h>
 #endif
diff --git a/src/USER-OMP/thr_data.h b/src/USER-OMP/thr_data.h
index 4853d6dbbf86177a019eb7984547c7b7c2f15f3a..4b87357101dd506bb6a31b250f6ba2d7d6ce496c 100644
--- a/src/USER-OMP/thr_data.h
+++ b/src/USER-OMP/thr_data.h
@@ -18,7 +18,7 @@
 #ifndef LMP_THR_DATA_H
 #define LMP_THR_DATA_H
 
-#include "timer.h"
+#include "timer.h"    // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/USER-OMP/thr_omp.cpp b/src/USER-OMP/thr_omp.cpp
index c086f6d6b5dd277d862a1d3cd01297d1f05839fd..6e096defa8f14a6973af789cd505441c417dc5c1 100644
--- a/src/USER-OMP/thr_omp.cpp
+++ b/src/USER-OMP/thr_omp.cpp
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "modify.h"
 #include "neighbor.h"
-#include "timer.h"
+
 
 #include "thr_omp.h"
 
diff --git a/src/USER-PHONON/dynamical_matrix.cpp b/src/USER-PHONON/dynamical_matrix.cpp
index adfcf6adb5da228220eb381d9e065449f82a36fd..238aa7c96e05ea7e820c4b29837f20e7e382e8fe 100644
--- a/src/USER-PHONON/dynamical_matrix.cpp
+++ b/src/USER-PHONON/dynamical_matrix.cpp
@@ -2,28 +2,29 @@
 // Created by charlie sievers on 6/21/18.
 //
 
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
 #include "dynamical_matrix.h"
+
+#include "angle.h"
 #include "atom.h"
-#include "domain.h"
+#include "bond.h"
 #include "comm.h"
+#include "dihedral.h"
+#include "domain.h"
 #include "error.h"
-#include "group.h"
+#include "finish.h"
 #include "force.h"
-#include "memory.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
 #include "kspace.h"
-#include "update.h"
+#include "memory.h"
 #include "modify.h"
 #include "neighbor.h"
 #include "pair.h"
 #include "timer.h"
-#include "finish.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 #include <algorithm>
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-PHONON/fix_phonon.cpp b/src/USER-PHONON/fix_phonon.cpp
index 17325b062a42e44ff0fac325e520d078841ca996..382eabe82de7539af3e254fe7ef0a552c03c4388 100644
--- a/src/USER-PHONON/fix_phonon.cpp
+++ b/src/USER-PHONON/fix_phonon.cpp
@@ -23,7 +23,7 @@
      konglt@sjtu.edu.cn; konglt@gmail.com
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "fix_phonon.h"
diff --git a/src/USER-PHONON/third_order.cpp b/src/USER-PHONON/third_order.cpp
index 6e097108332e1afda3f96f1d386f53fa51cbce97..e7997d639727a3d1378dc09edc1753655d27c6b0 100644
--- a/src/USER-PHONON/third_order.cpp
+++ b/src/USER-PHONON/third_order.cpp
@@ -3,29 +3,28 @@
 //
 
 #include "third_order.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
+#include "angle.h"
 #include "atom.h"
-#include "domain.h"
+#include "bond.h"
 #include "comm.h"
+#include "dihedral.h"
+#include "domain.h"
 #include "error.h"
-#include "group.h"
+#include "finish.h"
 #include "force.h"
-#include "memory.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
 #include "kspace.h"
-#include "update.h"
+#include "math_special.h"
+#include "memory.h"
 #include "neighbor.h"
 #include "pair.h"
 #include "timer.h"
-#include "finish.h"
-#include "math_special.h"
+#include "update.h"
+
+#include <cstring>
 #include <algorithm>
-#include <complex>
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
@@ -170,13 +169,11 @@ void ThirdOrder::options(int narg, char **arg)
   if (narg < 0) error->all(FLERR,"Illegal third_order command");
   int iarg = 0;
   const char *filename = "third_order.dat";
-  std::stringstream fss;
 
   while (iarg < narg) {
     if (strcmp(arg[iarg],"file") == 0) {
       if (iarg+2 > narg) error->all(FLERR, "Illegal third_order command");
-      fss << arg[iarg + 1];
-      filename = fss.str().c_str();
+      filename = arg[iarg + 1];
       file_flag = 1;
       iarg += 2;
     } else if (strcmp(arg[iarg],"binary") == 0) {
diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp
index 3a52bbaaa1de2f9dca1a2c102605b5dd8ede3b1d..b7a29c7bc96eda54d8514daa46466ba4f71311a5 100644
--- a/src/USER-PLUMED/fix_plumed.cpp
+++ b/src/USER-PLUMED/fix_plumed.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 
 #include "atom.h"
@@ -33,7 +33,7 @@
 #include "compute.h"
 #include "modify.h"
 #include "pair.h"
-#include "utils.h"
+
 #include "timer.h"
 
 #include "plumed/wrapper/Plumed.h"
diff --git a/src/USER-PTM/ptm_deformation_gradient.h b/src/USER-PTM/ptm_deformation_gradient.h
index 546efab4376edceb4f150d78319adf5aeecc8ce9..6c686431f66a1ef732a7c3a3b23d3653a86267cb 100644
--- a/src/USER-PTM/ptm_deformation_gradient.h
+++ b/src/USER-PTM/ptm_deformation_gradient.h
@@ -10,9 +10,11 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI
 #ifndef PTM_DEFORMATION_GRADIENT_H
 #define PTM_DEFORMATION_GRADIENT_H
 
-#include <stdint.h>
 #include "ptm_constants.h"
 
+#include <cstdint>
+#include <cmath>
+
 namespace ptm {
 
 void calculate_deformation_gradient(int num_points, const double (*ideal_points)[3], int8_t* mapping, double (*normalized)[3], const double (*penrose)[3], double* F, double* res);
diff --git a/src/USER-QMMM/fix_qmmm.cpp b/src/USER-QMMM/fix_qmmm.cpp
index f1a34d95380b751e437d052ca13dc25e099856f9..9f07030004c51b757db28a0a1b99b46befe58282 100644
--- a/src/USER-QMMM/fix_qmmm.cpp
+++ b/src/USER-QMMM/fix_qmmm.cpp
@@ -15,7 +15,7 @@
    Contributing author:  Axel Kohlmeyer (ICTP)
 ------------------------------------------------------------------------- */
 
-#include <cstdlib>
+
 #include <cstring>
 #include "fix_qmmm.h"
 #include "atom.h"
diff --git a/src/USER-QTB/fix_qbmsst.cpp b/src/USER-QTB/fix_qbmsst.cpp
index b590e1ae9a6986f989473249020e486a68e0708c..034738023c5fc026875d2d3ea224af27fa0a8b5b 100644
--- a/src/USER-QTB/fix_qbmsst.cpp
+++ b/src/USER-QTB/fix_qbmsst.cpp
@@ -17,11 +17,11 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qbmsst.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
-#include <string>
+
+
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -34,8 +34,8 @@
 #include "error.h"
 #include "kspace.h"
 #include "math_const.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-QTB/fix_qtb.cpp b/src/USER-QTB/fix_qtb.cpp
index 80c0efddab5de597195a8c5689ddc98a2f13b121..3f29229bebe672fd7b548e4460e723700fe8fd61 100644
--- a/src/USER-QTB/fix_qtb.cpp
+++ b/src/USER-QTB/fix_qtb.cpp
@@ -17,10 +17,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qtb.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "force.h"
 #include "update.h"
@@ -32,8 +32,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-QUIP/pair_quip.cpp b/src/USER-QUIP/pair_quip.cpp
index 64c56cb0e6647ff28999bd5761f60dd08e1132ea..5511efe681fc0ec910ee716f4d593756c0f6d095 100644
--- a/src/USER-QUIP/pair_quip.cpp
+++ b/src/USER-QUIP/pair_quip.cpp
@@ -16,10 +16,10 @@
                          Aidan Thompson (Sandia, athomps@sandia.gov)
 ------------------------------------------------------------------------- */
 
-#include <mpi.h>
+
 #include <cmath>
 #include <cstdio>
-#include <cstdlib>
+
 #include <cstring>
 #include "pair_quip.h"
 #include "atom.h"
diff --git a/src/USER-REACTION/fix_bond_react.cpp b/src/USER-REACTION/fix_bond_react.cpp
index 99d016f1a0e0da9365ac8831bce8423f2eb56a70..5d57b740561a12a54d55254dc5439bdfc5fc439d 100644
--- a/src/USER-REACTION/fix_bond_react.cpp
+++ b/src/USER-REACTION/fix_bond_react.cpp
@@ -16,36 +16,37 @@ Contributing Author: Jacob Gissinger (jacob.gissinger@colorado.edu)
 ------------------------------------------------------------------------- */
 
 #include "fix_bond_react.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
-#include "update.h"
-#include "modify.h"
-#include "respa.h"
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "force.h"
-#include "pair.h"
+#include "citeme.h"
 #include "comm.h"
 #include "domain.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "random_mars.h"
-#include "reset_mol_ids.h"
-#include "molecule.h"
+#include "error.h"
+#include "force.h"
 #include "group.h"
-#include "citeme.h"
+#include "input.h"
 #include "math_const.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "input.h"
+#include "modify.h"
+#include "molecule.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "random_mars.h"
+#include "reset_mol_ids.h"
+#include "respa.h"
+#include "update.h"
 #include "variable.h"
-#include "fmt/format.h"
+
 #include "superpose3d.h"
 
+#include <cctype>
+#include <cmath>
+#include <cstring>
+
 #include <algorithm>
 
 using namespace LAMMPS_NS;
diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp
index 433fd82bcd15e078840346d8597285cf36708c78..4a61cfa03bee9ce7773962b28f4a8d96e8ceeec7 100644
--- a/src/USER-REAXC/fix_qeq_reax.cpp
+++ b/src/USER-REAXC/fix_qeq_reax.cpp
@@ -19,7 +19,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_qeq_reax.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "pair_reaxc.h"
diff --git a/src/USER-REAXC/fix_reaxc_bonds.cpp b/src/USER-REAXC/fix_reaxc_bonds.cpp
index 5c57fed261e6d73f38f7a716b4efdf4ea8c05794..c0ffd4c17e89d23d6c718f1f6ff856716b82aac1 100644
--- a/src/USER-REAXC/fix_reaxc_bonds.cpp
+++ b/src/USER-REAXC/fix_reaxc_bonds.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_reaxc_bonds.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-REAXC/fix_reaxc_species.cpp b/src/USER-REAXC/fix_reaxc_species.cpp
index 74692f1c9b6f0d291664a58f7096db8544e4f2d4..ec03ab18081177eee91531f39a06f6617dd693a6 100644
--- a/src/USER-REAXC/fix_reaxc_species.cpp
+++ b/src/USER-REAXC/fix_reaxc_species.cpp
@@ -17,8 +17,8 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_reaxc_species.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include "fix_ave_atom.h"
 #include "atom.h"
diff --git a/src/USER-REAXC/pair_reaxc.cpp b/src/USER-REAXC/pair_reaxc.cpp
index e0888e8514bbfd72982e50096e5049c95d60650e..c38257ae30590ef433086e4b2b208e73891b7c28 100644
--- a/src/USER-REAXC/pair_reaxc.cpp
+++ b/src/USER-REAXC/pair_reaxc.cpp
@@ -21,9 +21,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_reaxc.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <strings.h>
 #include "atom.h"
@@ -39,7 +39,7 @@
 #include "citeme.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 #include "reaxc_defs.h"
 #include "reaxc_types.h"
diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
index b215e8d278f9c3892e99fce85405fb84b6a504c7..bf2fc73b015c97ea1506a56c59d80f8fc4f6593c 100644
--- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
+++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.cpp
@@ -19,18 +19,19 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_sdpd_taitwater_isothermal.h"
-#include <cmath>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "memory.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 #include "update.h"
-#include "utils.h"
+
+#include <cmath>
+
 #ifndef USE_ZEST
 #include "random_mars.h"
 #endif
diff --git a/src/USER-SMD/atom_vec_smd.cpp b/src/USER-SMD/atom_vec_smd.cpp
index 670783a3d7dfe8c462418523478f204c79f5ac79..81a43ff7f3543276dd5ba6a1f692348233cd8ae2 100644
--- a/src/USER-SMD/atom_vec_smd.cpp
+++ b/src/USER-SMD/atom_vec_smd.cpp
@@ -23,9 +23,10 @@
  ------------------------------------------------------------------------- */
 
 #include "atom_vec_smd.h"
-#include <cstring>
+
 #include "atom.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SMD/compute_smd_tlsph_defgrad.cpp b/src/USER-SMD/compute_smd_tlsph_defgrad.cpp
index 09aeeea74aa65d755be7a69c69d7cf88b86829d2..81792355e013d44c8eae8b1df9d9d8ae0e976d06 100644
--- a/src/USER-SMD/compute_smd_tlsph_defgrad.cpp
+++ b/src/USER-SMD/compute_smd_tlsph_defgrad.cpp
@@ -23,14 +23,16 @@
  ------------------------------------------------------------------------- */
 
 #include "compute_smd_tlsph_defgrad.h"
-#include <cstring>
-#include <Eigen/Eigen>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
+#include <Eigen/Eigen>          // IWYU pragma: export
 
 using namespace Eigen;
 using namespace std;
diff --git a/src/USER-SMD/compute_smd_tlsph_shape.cpp b/src/USER-SMD/compute_smd_tlsph_shape.cpp
index ba1a9306ef6ba4401a0e58cd80365ff2140cd9be..a3727871de02ff3a62bca6f04e9ebc55bb6f32b2 100644
--- a/src/USER-SMD/compute_smd_tlsph_shape.cpp
+++ b/src/USER-SMD/compute_smd_tlsph_shape.cpp
@@ -23,16 +23,18 @@
  ------------------------------------------------------------------------- */
 
 #include "compute_smd_tlsph_shape.h"
-#include <cstring>
-#include <Eigen/Eigen>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
 #include "pair.h"
+#include "update.h"
+
+#include <cstring>
+#include <Eigen/Eigen>          // IWYU pragma: export
 
 using namespace Eigen;
 using namespace std;
diff --git a/src/USER-SMD/compute_smd_tlsph_strain.cpp b/src/USER-SMD/compute_smd_tlsph_strain.cpp
index f0061bf7a1cbd699ef8c91f67b8620963d648870..db51ca412539a4eb2540ae7990281bedcab84bbe 100644
--- a/src/USER-SMD/compute_smd_tlsph_strain.cpp
+++ b/src/USER-SMD/compute_smd_tlsph_strain.cpp
@@ -24,16 +24,18 @@
  ------------------------------------------------------------------------- */
 
 #include "compute_smd_tlsph_strain.h"
-#include <cstring>
-#include <Eigen/Eigen>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
 #include "pair.h"
+#include "update.h"
+
+#include <cstring>
+#include <Eigen/Eigen>          // IWYU pragma: export
 
 using namespace Eigen;
 using namespace std;
diff --git a/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp b/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp
index 895a973f6a1863c4faacbe59aa33d8fd18044211..577dc0e40f66b326214d6ee4528daf4697e59a60 100644
--- a/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp
+++ b/src/USER-SMD/compute_smd_tlsph_strain_rate.cpp
@@ -23,17 +23,19 @@
  See the README file in the top-level LAMMPS directory.
  ------------------------------------------------------------------------- */
 
-#include <cstring>
-#include <Eigen/Eigen>
 #include "compute_smd_tlsph_strain_rate.h"
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
 #include "pair.h"
+#include "update.h"
+
+#include <cstring>
+#include <Eigen/Eigen>          // IWYU pragma: export
 
 using namespace Eigen;
 using namespace LAMMPS_NS;
diff --git a/src/USER-SMD/compute_smd_vol.cpp b/src/USER-SMD/compute_smd_vol.cpp
index eb1f144275406effe900d1cef15d645b969d0d33..5999dfaa5df0c4a842ecdf538abb7cf221019bae 100644
--- a/src/USER-SMD/compute_smd_vol.cpp
+++ b/src/USER-SMD/compute_smd_vol.cpp
@@ -23,7 +23,7 @@
  ------------------------------------------------------------------------- */
 
 #include "compute_smd_vol.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/USER-SMD/fix_smd_adjust_dt.cpp b/src/USER-SMD/fix_smd_adjust_dt.cpp
index ab6dd5ef5c50b5c97c5eb552b305ae6a34c3df57..b5dab3d3a15d6eca99d13e975cecfbf4b31068b1 100644
--- a/src/USER-SMD/fix_smd_adjust_dt.cpp
+++ b/src/USER-SMD/fix_smd_adjust_dt.cpp
@@ -23,8 +23,8 @@
  ------------------------------------------------------------------------- */
 
 #include "fix_smd_adjust_dt.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include "update.h"
 #include "force.h"
 #include "pair.h"
diff --git a/src/USER-SMD/fix_smd_move_triangulated_surface.cpp b/src/USER-SMD/fix_smd_move_triangulated_surface.cpp
index 2aa6f980ed8c2b2c8c1c2517d70fd31872c8abb5..e0e76a18fbd096db791d95ac634e8577d0e7fb92 100644
--- a/src/USER-SMD/fix_smd_move_triangulated_surface.cpp
+++ b/src/USER-SMD/fix_smd_move_triangulated_surface.cpp
@@ -23,15 +23,16 @@
  ------------------------------------------------------------------------- */
 
 #include "fix_smd_move_triangulated_surface.h"
-#include <cmath>
-#include <cstring>
-#include <Eigen/Eigen>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "update.h"
 #include "error.h"
 #include "math_const.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
+#include <Eigen/Eigen>
 
 using namespace Eigen;
 using namespace LAMMPS_NS;
diff --git a/src/USER-SMD/fix_smd_setvel.cpp b/src/USER-SMD/fix_smd_setvel.cpp
index 895e5b1a25dffca7cbbd7e4e45b872ca4b8e579e..d3e71f0e50e92bd6140498360f7893b1857a5dba 100644
--- a/src/USER-SMD/fix_smd_setvel.cpp
+++ b/src/USER-SMD/fix_smd_setvel.cpp
@@ -24,18 +24,18 @@
  ------------------------------------------------------------------------- */
 
 #include "fix_smd_setvel.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
-#include "region.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
+#include "modify.h"
+#include "region.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp
index 4ade21a6fdf3b9e169e6f1ea8ab3ded286130b26..3e63de08f3a08317147c010c80adc95e36c1cf17 100644
--- a/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp
+++ b/src/USER-SMD/fix_smd_tlsph_reference_configuration.cpp
@@ -25,7 +25,7 @@
  ------------------------------------------------------------------------- */
 
 #include "fix_smd_tlsph_reference_configuration.h"
-#include <mpi.h>
+
 #include <Eigen/Eigen>
 #include "atom.h"
 #include "comm.h"
diff --git a/src/USER-SMD/fix_smd_wall_surface.cpp b/src/USER-SMD/fix_smd_wall_surface.cpp
index ba3a324d5698a5b7332c5018015d1f3c207c3bbf..10f248c39fe4332b78786d5ce3ed918a5e489b72 100644
--- a/src/USER-SMD/fix_smd_wall_surface.cpp
+++ b/src/USER-SMD/fix_smd_wall_surface.cpp
@@ -16,17 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_smd_wall_surface.h"
-#include <mpi.h>
-#include <cstring>
-#include <cstdlib>
-#include <Eigen/Eigen>
+
 #include "atom.h"
-#include "domain.h"
-#include "force.h"
+#include "atom_vec.h"
 #include "comm.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "atom_vec.h"
+#include "memory.h"
+
+#include <cstring>
+#include <Eigen/Eigen>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/USER-SMD/pair_smd_hertz.cpp b/src/USER-SMD/pair_smd_hertz.cpp
index 67fda5f18d8b171da6dff50451546222acfd3720..8d3c06d5e6d3519d17a9ae4ebbda4514b61b20f2 100644
--- a/src/USER-SMD/pair_smd_hertz.cpp
+++ b/src/USER-SMD/pair_smd_hertz.cpp
@@ -27,9 +27,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_smd_hertz.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "domain.h"
@@ -40,7 +40,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SMD/pair_smd_tlsph.cpp b/src/USER-SMD/pair_smd_tlsph.cpp
index 1ba4b37520067e3e87dc9f60f36069abb2140a90..25301685a7376ddefc0f5ff88a80d9f50bcd9197 100644
--- a/src/USER-SMD/pair_smd_tlsph.cpp
+++ b/src/USER-SMD/pair_smd_tlsph.cpp
@@ -23,10 +23,10 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_smd_tlsph.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
-#include <string>
+
 #include <iostream>
 #include <Eigen/Eigen>
 #include "fix_smd_tlsph_reference_configuration.h"
diff --git a/src/USER-SMD/pair_smd_triangulated_surface.cpp b/src/USER-SMD/pair_smd_triangulated_surface.cpp
index 92438837193ec47cbe06ed734e6099145a5f3b37..8ccba562e26f4cdda6bdffa8a3f5e368947c155c 100644
--- a/src/USER-SMD/pair_smd_triangulated_surface.cpp
+++ b/src/USER-SMD/pair_smd_triangulated_surface.cpp
@@ -27,9 +27,9 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_smd_triangulated_surface.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <Eigen/Eigen>
 #include "atom.h"
@@ -41,7 +41,7 @@
 #include "neigh_request.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace std;
 using namespace LAMMPS_NS;
diff --git a/src/USER-SMD/pair_smd_ulsph.cpp b/src/USER-SMD/pair_smd_ulsph.cpp
index ecd0d5f4ec31bf25164e54a43442232c3575f73f..3a6cdf5d2f16672aa73d4d94a8dfc6ce9dbe12d6 100644
--- a/src/USER-SMD/pair_smd_ulsph.cpp
+++ b/src/USER-SMD/pair_smd_ulsph.cpp
@@ -23,24 +23,22 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_smd_ulsph.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
-#include <utility>
+
 #include "atom.h"
-#include "domain.h"
-#include "force.h"
-#include "update.h"
 #include "comm.h"
-#include "neighbor.h"
+#include "domain.h"
+#include "error.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
+#include "neighbor.h"
+#include "smd_kernels.h"
 #include "smd_material_models.h"
 #include "smd_math.h"
-#include "smd_kernels.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace SMD_Kernels;
 using namespace std;
diff --git a/src/USER-SMD/smd_material_models.cpp b/src/USER-SMD/smd_material_models.cpp
index 096600df5207a003a57607cc0174c85aa3cfb368..942b6a8cabd941167f7ae692ffe09806e1ee084f 100644
--- a/src/USER-SMD/smd_material_models.cpp
+++ b/src/USER-SMD/smd_material_models.cpp
@@ -22,12 +22,13 @@
  See the README file in the top-level LAMMPS directory.
  ------------------------------------------------------------------------- */
 #include "smd_material_models.h"
+
+#include "math_special.h"
+
 #include <cmath>
 #include <cstdlib>
-#include <utility>
 #include <iostream>
 #include <cstdio>
-#include "math_special.h"
 
 #include <Eigen/Eigen>
 
diff --git a/src/USER-SMTBQ/pair_smtbq.cpp b/src/USER-SMTBQ/pair_smtbq.cpp
index f6ecd40bb65912e20d22f227098050692da89778..875d254ac9b1a143a3588594cb319d2a827b448a 100644
--- a/src/USER-SMTBQ/pair_smtbq.cpp
+++ b/src/USER-SMTBQ/pair_smtbq.cpp
@@ -39,9 +39,9 @@
    ------------------------------------------------------------------------- */
 
 #include "pair_smtbq.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include <algorithm>
 #include <vector>
diff --git a/src/USER-SPH/atom_vec_sph.cpp b/src/USER-SPH/atom_vec_sph.cpp
index 2811c57e6c25c0b97cd9c3fae6464fb8e336ea01..93ca2b60a7792a4bfab3d7a85ac97ca1199d997b 100644
--- a/src/USER-SPH/atom_vec_sph.cpp
+++ b/src/USER-SPH/atom_vec_sph.cpp
@@ -12,9 +12,10 @@
  ------------------------------------------------------------------------- */
 
 #include "atom_vec_sph.h"
-#include <cstring>
+
 #include "atom.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_heatconduction.cpp b/src/USER-SPH/pair_sph_heatconduction.cpp
index 7bb06c14d960a1f6cadc83fe0aedb4b154768590..fb8c928f2dd36b1630d1a24bc0e1d81424db74e2 100644
--- a/src/USER-SPH/pair_sph_heatconduction.cpp
+++ b/src/USER-SPH/pair_sph_heatconduction.cpp
@@ -19,7 +19,7 @@
 #include "error.h"
 #include "neigh_list.h"
 #include "domain.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_idealgas.cpp b/src/USER-SPH/pair_sph_idealgas.cpp
index c80e2b4725a203ed518b591d288ab02e3fb8e508..5480ff8e4c7d1f1031bc9c68661e06e418f90115 100644
--- a/src/USER-SPH/pair_sph_idealgas.cpp
+++ b/src/USER-SPH/pair_sph_idealgas.cpp
@@ -19,7 +19,7 @@
 #include "memory.h"
 #include "error.h"
 #include "domain.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_lj.cpp b/src/USER-SPH/pair_sph_lj.cpp
index 4004e415745b7d1423dcc69abb2ada5b08571b0e..eb76d800c8dd5ef00c12c9ab106e9cfa1ddc9fb3 100644
--- a/src/USER-SPH/pair_sph_lj.cpp
+++ b/src/USER-SPH/pair_sph_lj.cpp
@@ -19,7 +19,7 @@
 #include "memory.h"
 #include "error.h"
 #include "domain.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp
index c70cc7cd8366cd899267934d2c7059f84d13a8dd..3d3065f839a53a90a2b04c6f98eddbeb8093f796 100644
--- a/src/USER-SPH/pair_sph_rhosum.cpp
+++ b/src/USER-SPH/pair_sph_rhosum.cpp
@@ -12,17 +12,16 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_sph_rhosum.h"
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "memory.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
 #include "neighbor.h"
 #include "update.h"
-#include "domain.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_taitwater.cpp b/src/USER-SPH/pair_sph_taitwater.cpp
index 6455c1e8be4c1243a01d51be4da1f0f8c671012b..c0051201d0ebb3d6f6ce45d9ccb8363ecfb395c0 100644
--- a/src/USER-SPH/pair_sph_taitwater.cpp
+++ b/src/USER-SPH/pair_sph_taitwater.cpp
@@ -20,7 +20,7 @@
 #include "memory.h"
 #include "error.h"
 #include "domain.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-SPH/pair_sph_taitwater_morris.cpp b/src/USER-SPH/pair_sph_taitwater_morris.cpp
index 7a6188da69349a6bf1c98e8467448ac6c0a6140a..497aea293b9b23c8ca7f9e44ed048f32c42404dc 100644
--- a/src/USER-SPH/pair_sph_taitwater_morris.cpp
+++ b/src/USER-SPH/pair_sph_taitwater_morris.cpp
@@ -20,7 +20,7 @@
 #include "memory.h"
 #include "error.h"
 #include "domain.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-TALLY/compute_force_tally.cpp b/src/USER-TALLY/compute_force_tally.cpp
index 9d15fbc44139c50cf456bb1e5a9f1302916447cd..d010b004d501f2642098f94ccd501271c2a90c08 100644
--- a/src/USER-TALLY/compute_force_tally.cpp
+++ b/src/USER-TALLY/compute_force_tally.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_force_tally.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "group.h"
diff --git a/src/USER-TALLY/compute_heat_flux_tally.cpp b/src/USER-TALLY/compute_heat_flux_tally.cpp
index 350bc4b4b6b75989218ef23b83dc4b3a5b33ebe2..1a2dd36285418fdf7d69081ddb042ea94b8aa2df 100644
--- a/src/USER-TALLY/compute_heat_flux_tally.cpp
+++ b/src/USER-TALLY/compute_heat_flux_tally.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_heat_flux_tally.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "group.h"
 #include "pair.h"
diff --git a/src/USER-TALLY/compute_pe_mol_tally.cpp b/src/USER-TALLY/compute_pe_mol_tally.cpp
index ce647a04c3fc966f003e945973dbd8cc03de26da..835d1e80bdac811407246bf8dcaea81b27830058 100644
--- a/src/USER-TALLY/compute_pe_mol_tally.cpp
+++ b/src/USER-TALLY/compute_pe_mol_tally.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pe_mol_tally.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "group.h"
 #include "pair.h"
diff --git a/src/USER-TALLY/compute_pe_tally.cpp b/src/USER-TALLY/compute_pe_tally.cpp
index edfa49b1b1e2a6857e950614ed9f1bb415d4fae0..ef7c13fed212e3a6d3e98276c528f8e3a918639f 100644
--- a/src/USER-TALLY/compute_pe_tally.cpp
+++ b/src/USER-TALLY/compute_pe_tally.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pe_tally.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "group.h"
 #include "pair.h"
diff --git a/src/USER-TALLY/compute_stress_tally.cpp b/src/USER-TALLY/compute_stress_tally.cpp
index 1ea096e2865592a0cc46fdef0bf72d73e9c6a968..2a0cbc8e4bf058f26dc50e89f70f2b6bdae9c742 100644
--- a/src/USER-TALLY/compute_stress_tally.cpp
+++ b/src/USER-TALLY/compute_stress_tally.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_stress_tally.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "group.h"
 #include "pair.h"
diff --git a/src/USER-VTK/dump_vtk.cpp b/src/USER-VTK/dump_vtk.cpp
index 72ed2640d8723fd425716596d670706d398c96cc..59dba0d90d679336f78e88bc3862c2b8fbb1a121 100644
--- a/src/USER-VTK/dump_vtk.cpp
+++ b/src/USER-VTK/dump_vtk.cpp
@@ -23,7 +23,7 @@
 ------------------------------------------------------------------------- */
 
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
 #include "dump_vtk.h"
 #include "atom.h"
diff --git a/src/USER-VTK/dump_vtk.h b/src/USER-VTK/dump_vtk.h
index e8de87f11cab52e998258bbc59d38cf46dc27bd3..b9db1f88cbb3845c1706e70be6890947dec2d30d 100644
--- a/src/USER-VTK/dump_vtk.h
+++ b/src/USER-VTK/dump_vtk.h
@@ -27,7 +27,7 @@ DumpStyle(vtk,DumpVTK)
 #include "dump_custom.h"
 #include <map>
 #include <set>
-#include <string>
+
 
 #include <vtkSmartPointer.h>
 #include <vtkPoints.h>
diff --git a/src/USER-YAFF/angle_cross.cpp b/src/USER-YAFF/angle_cross.cpp
index 9c925d2365c6dcf96dc1c6bbcbc0a6232c5f72f5..c45af1d1985d6d62dd9c7d39157846f85a6be0db 100644
--- a/src/USER-YAFF/angle_cross.cpp
+++ b/src/USER-YAFF/angle_cross.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_cross.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-YAFF/angle_mm3.cpp b/src/USER-YAFF/angle_mm3.cpp
index 38a2cea3aaaf3c5a90293b63d68dca709ae4ef7f..34de7726724fe1e304921fd00ab584f8a300827e 100644
--- a/src/USER-YAFF/angle_mm3.cpp
+++ b/src/USER-YAFF/angle_mm3.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_mm3.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-YAFF/bond_mm3.cpp b/src/USER-YAFF/bond_mm3.cpp
index 39f238f1abbac0ba1e173e18adf3e5d06517712e..f5d5fed946fb058c1f85f2634c66a9f0f5b4fc37 100644
--- a/src/USER-YAFF/bond_mm3.cpp
+++ b/src/USER-YAFF/bond_mm3.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_mm3.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neighbor.h"
@@ -24,7 +24,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-YAFF/improper_distharm.cpp b/src/USER-YAFF/improper_distharm.cpp
index e9b454bdb932e1c55c2afbffe58bc0f43d16ccda..37039b27e4acac02eee7b16a501b4fc2b44a374d 100644
--- a/src/USER-YAFF/improper_distharm.cpp
+++ b/src/USER-YAFF/improper_distharm.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_distharm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-YAFF/improper_sqdistharm.cpp b/src/USER-YAFF/improper_sqdistharm.cpp
index af5086917a52908bb5401be1938af304b8abe1a6..ddc4d78c93a0ebdc03b4d9d77f8c0d6f649e8027 100644
--- a/src/USER-YAFF/improper_sqdistharm.cpp
+++ b/src/USER-YAFF/improper_sqdistharm.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_sqdistharm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
index 2cbf01f7b7bc093c6b58b0da6cf77e3e5f685d0d..98fd317794ea0a336147b9f6f9ca4dcc0e55cc61 100644
--- a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
+++ b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_switch3_coulgauss_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
index 52bcf20b9b8d4f1c1c0f6975d67f11bca0914863..e1ee0e0b98ae7c6921b67fa3aff10bd313c258b2 100644
--- a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
+++ b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mm3_switch3_coulgauss_long.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -31,7 +31,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/VORONOI/compute_voronoi_atom.cpp b/src/VORONOI/compute_voronoi_atom.cpp
index bda4299a68108cbced26e9f40ba02779bbe71584..be77b8457b8c94d9621726be368a2add2b5087ce 100644
--- a/src/VORONOI/compute_voronoi_atom.cpp
+++ b/src/VORONOI/compute_voronoi_atom.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_voronoi_atom.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include <voro++.hh>
diff --git a/src/angle_deprecated.cpp b/src/angle_deprecated.cpp
index fb3f90ec28bf8874886eed5562cd811737968bf8..7c2426739d99d3bbd145375ed73b26760bb1ac00 100644
--- a/src/angle_deprecated.cpp
+++ b/src/angle_deprecated.cpp
@@ -16,12 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_deprecated.h"
-#include <string>
 #include "angle_hybrid.h"
 #include "comm.h"
 #include "force.h"
 #include "error.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp
index d0a1d29e652f2fe4d4f938477842ca46d1bde2cf..56590d6757da47fef17466fe84992722d973ee84 100644
--- a/src/angle_hybrid.cpp
+++ b/src/angle_hybrid.cpp
@@ -12,16 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_hybrid.h"
-#include <mpi.h>
-#include <cstring>
-#include <cctype>
+
 #include "atom.h"
 #include "neighbor.h"
 #include "comm.h"
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
+#include <cstring>
+#include <cctype>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/angle_zero.cpp b/src/angle_zero.cpp
index eb9cbf1ea2796bf5bfe81cabc64f6a9ba973fd00..e087b774e0c2aab68edbc50ad5645c6478020e01 100644
--- a/src/angle_zero.cpp
+++ b/src/angle_zero.cpp
@@ -16,15 +16,14 @@
 ------------------------------------------------------------------------- */
 
 #include "angle_zero.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/atom.cpp b/src/atom.cpp
index f4c93db4593eefe972fc741959381f4ff8fdf286..90dce44764cf377693a50a751c9a6ba7755054a5 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -12,31 +12,27 @@
 ------------------------------------------------------------------------- */
 
 #include "atom.h"
-#include <mpi.h>
-#include <climits>
-#include <cstdlib>
-#include <cstring>
-#include <algorithm>
-#include <string>
-#include "style_atom.h"
 #include "atom_vec.h"
-#include "atom_vec_ellipsoid.h"
+#include "style_atom.h"  // IWYU pragma: keep
+
 #include "comm.h"
-#include "neighbor.h"
-#include "force.h"
-#include "modify.h"
-#include "fix.h"
 #include "compute.h"
-#include "update.h"
 #include "domain.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
 #include "group.h"
 #include "input.h"
-#include "variable.h"
-#include "molecule.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
+#include "molecule.h"
+#include "neighbor.h"
+#include "update.h"
+#include "variable.h"
+
+#include <algorithm>
+#include <cstring>
 
 #ifdef LMP_USER_INTEL
 #include "neigh_request.h"
diff --git a/src/atom.h b/src/atom.h
index 4dac15d758ec9adb2b91004cb9c7cc342c2cb18f..21b9c06f8c1729a16b6867bc5eb8bd3d5f05b85d 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -15,16 +15,20 @@
 #define LMP_ATOM_H
 
 #include "pointers.h"
+
 #include <map>
 #include <set>
-#include <string>
 
 namespace LAMMPS_NS {
 
+  // forward declaration
+
+  class AtomVec;
+
 class Atom : protected Pointers {
  public:
   char *atom_style;
-  class AtomVec *avec;
+  AtomVec *avec;
   enum{DOUBLE,INT,BIGINT};
 
   // atom counts
@@ -273,12 +277,12 @@ class Atom : protected Pointers {
   void add_peratom_vary(const char *, void *, int, int *,
                         void *, int collength=0);
   void create_avec(const std::string &, int, char **, int);
-  virtual class AtomVec *new_avec(const std::string &, int, int &);
+  virtual AtomVec *new_avec(const std::string &, int, int &);
 
   void init();
   void setup();
 
-  class AtomVec *style_match(const char *);
+  AtomVec *style_match(const char *);
   void modify_params(int, char **);
   void tag_check();
   void tag_extend();
@@ -296,8 +300,8 @@ class Atom : protected Pointers {
   void data_angles(int, char *, int *, tagint, int);
   void data_dihedrals(int, char *, int *, tagint, int);
   void data_impropers(int, char *, int *, tagint, int);
-  void data_bonus(int, char *, class AtomVec *, tagint);
-  void data_bodies(int, char *, class AtomVec *, tagint);
+  void data_bonus(int, char *, AtomVec *, tagint);
+  void data_bodies(int, char *, AtomVec *, tagint);
   void data_fix_compute_variable(int, int);
 
   virtual void allocate_type_arrays();
diff --git a/src/atom_map.cpp b/src/atom_map.cpp
index c23aeec83cd442186e71a1acdffc75d5de756943..02b97a1134e43f25224575d45e21c206c77324ab 100644
--- a/src/atom_map.cpp
+++ b/src/atom_map.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "atom.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp
index 261b06899714f6e5ff4a4d299a9b28e569bb392b..4a00e5852b829a54cd096d97cca994cc8293caf5 100644
--- a/src/atom_vec.cpp
+++ b/src/atom_vec.cpp
@@ -12,20 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec.h"
-#include <cstdio>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
 #include "domain.h"
-#include "force.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
+#include "force.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
 #include "tokenizer.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/atom_vec_body.cpp b/src/atom_vec_body.cpp
index 10cbb9c84131c676add5d13c31d232500a46457f..608c803e203e5a2c7d397228f40f79e51f297fc5 100644
--- a/src/atom_vec_body.cpp
+++ b/src/atom_vec_body.cpp
@@ -12,18 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_body.h"
-#include <cstring>
-#include <string>
-#include "my_pool_chunk.h"
-#include "style_body.h"
-#include "body.h"
+#include "style_body.h"    // IWYU pragma: keep
+
 #include "atom.h"
-#include "domain.h"
-#include "modify.h"
+#include "body.h"
+#include "error.h"
 #include "fix.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
+#include "my_pool_chunk.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/atom_vec_ellipsoid.cpp b/src/atom_vec_ellipsoid.cpp
index dc2760c5f91adbfee47d4f2a1ee2189337732499..c22111f48cecc7173a241a59f59493d070efb8c7 100644
--- a/src/atom_vec_ellipsoid.cpp
+++ b/src/atom_vec_ellipsoid.cpp
@@ -16,16 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_ellipsoid.h"
-#include <cstring>
-#include "math_extra.h"
+
 #include "atom.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp
index db593dcee0df239d3357c417f385dd91b3046fa3..7a8c73570d02fbe17fed05cca56c646d565d25ad 100644
--- a/src/atom_vec_hybrid.cpp
+++ b/src/atom_vec_hybrid.cpp
@@ -12,13 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_hybrid.h"
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
 #include "tokenizer.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -595,7 +595,7 @@ void AtomVecHybrid::build_styles()
   nallstyles = 0;
 #define ATOM_CLASS
 #define AtomStyle(key,Class) nallstyles++;
-#include "style_atom.h"
+#include "style_atom.h"   // IWYU pragma: keep
 #undef AtomStyle
 #undef ATOM_CLASS
 
@@ -609,7 +609,7 @@ void AtomVecHybrid::build_styles()
   allstyles[nallstyles] = new char[n];      \
   strcpy(allstyles[nallstyles],#key);       \
   nallstyles++;
-#include "style_atom.h"
+#include "style_atom.h"  // IWYU pragma: keep
 #undef AtomStyle
 #undef ATOM_CLASS
 }
diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp
index af768f99431c4bcae5b9026b71fa42660bc7b5a9..88dcb8c2fa8d185f341e51872a015056802520ea 100644
--- a/src/atom_vec_line.cpp
+++ b/src/atom_vec_line.cpp
@@ -12,17 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_line.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/atom_vec_sphere.cpp b/src/atom_vec_sphere.cpp
index 03f417b1d03042db40f5b3a40588133f5e1ad1dd..03412a11ccfb567188462b7d4462e16b1ccb3765 100644
--- a/src/atom_vec_sphere.cpp
+++ b/src/atom_vec_sphere.cpp
@@ -12,14 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_sphere.h"
-#include <cstring>
+
 #include "atom.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_adapt.h"
 #include "math_const.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/atom_vec_tri.cpp b/src/atom_vec_tri.cpp
index d5b48b95401e83a08d0a103866f18bcfacfd1693..e391a73215401263fa8b90a5ab412c5f64d4cccd 100644
--- a/src/atom_vec_tri.cpp
+++ b/src/atom_vec_tri.cpp
@@ -12,18 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "atom_vec_tri.h"
-#include <cmath>
-#include <cstring>
-#include "math_extra.h"
+
 #include "atom.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/balance.cpp b/src/balance.cpp
index 168d7f59a4d5362cbd2e58dd35dc4235b87a52ee..af8d9048129a0afaa669ca5d6ec114a37b507dde 100644
--- a/src/balance.cpp
+++ b/src/balance.cpp
@@ -19,28 +19,26 @@
 // #define BALANCE_DEBUG 1
 
 #include "balance.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "rcb.h"
-#include "irregular.h"
 #include "domain.h"
-#include "force.h"
-#include "update.h"
-#include "modify.h"
+#include "error.h"
 #include "fix_store.h"
 #include "imbalance.h"
 #include "imbalance_group.h"
-#include "imbalance_time.h"
 #include "imbalance_neigh.h"
 #include "imbalance_store.h"
+#include "imbalance_time.h"
 #include "imbalance_var.h"
+#include "irregular.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "rcb.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/body.h b/src/body.h
index 1c742d3e65d029df19af8d1e8f1590db6a775e98..c9c289792e5b896b0c0cbe2ec797b70b12eb800e 100644
--- a/src/body.h
+++ b/src/body.h
@@ -15,7 +15,7 @@
 #define LMP_BODY_H
 
 #include "pointers.h"
-#include "atom_vec_body.h"
+#include "atom_vec_body.h"   // IWYU pragma: keep
 
 namespace LAMMPS_NS {
 
diff --git a/src/bond.cpp b/src/bond.cpp
index 12659fd8aa26b5c2eaf761b4f8c89d535beb1ab3..1f953bbd1904c007ccc378d26478ef37e8ca14a8 100644
--- a/src/bond.cpp
+++ b/src/bond.cpp
@@ -12,20 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "bond.h"
-#include <mpi.h>
-#include <ctime>
-#include <string>
+
 #include "atom.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
+#include "memory.h"
 #include "neighbor.h"
 #include "suffix.h"
-#include "atom_masks.h"
-#include "memory.h"
-#include "error.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <ctime>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/bond_deprecated.cpp b/src/bond_deprecated.cpp
index 0d91f73ea76d9e2a8ff0899b3ca791c0021680de..5422ab35f6b30cd764409c3c876446732b434650 100644
--- a/src/bond_deprecated.cpp
+++ b/src/bond_deprecated.cpp
@@ -16,12 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_deprecated.h"
-#include <string>
+
 #include "bond_hybrid.h"
 #include "comm.h"
-#include "force.h"
 #include "error.h"
-#include "utils.h"
+#include "force.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp
index 2fe9f7d3887b40cbf5c6ad0744332f9e673624b4..b42683c3005655335b0e3f9e088e11c7f96ae897 100644
--- a/src/bond_hybrid.cpp
+++ b/src/bond_hybrid.cpp
@@ -12,16 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_hybrid.h"
-#include <mpi.h>
-#include <cstring>
-#include <cctype>
+
 #include "atom.h"
-#include "neighbor.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+
+#include <cstring>
+#include <cctype>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/bond_zero.cpp b/src/bond_zero.cpp
index 8053c5531de7c071a995d42d5424d311186ce559..71146ec4d66a6bc770c8a9e8ae48027a3fc439d1 100644
--- a/src/bond_zero.cpp
+++ b/src/bond_zero.cpp
@@ -16,14 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "bond_zero.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "memory.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/change_box.cpp b/src/change_box.cpp
index 5fe4eb8a06f57e59dc29758c69fc9ceab5acc895..1bd3fe733f948afc51039bdd15bbf911a9f43c4b 100644
--- a/src/change_box.cpp
+++ b/src/change_box.cpp
@@ -12,22 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "change_box.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "modify.h"
-#include "fix.h"
-#include "domain.h"
-#include "lattice.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "fix.h"
+#include "group.h"
 #include "irregular.h"
+#include "lattice.h"
+#include "modify.h"
 #include "output.h"
-#include "group.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/comm.cpp b/src/comm.cpp
index 7e603f21049446b8b4ce0bccdd41024540dc7504..7b351e12fc384bd184fcd4b9fd93179b4c1fcbcf 100644
--- a/src/comm.cpp
+++ b/src/comm.cpp
@@ -12,31 +12,29 @@
 ------------------------------------------------------------------------- */
 
 #include "comm.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include "universe.h"
-#include "atom.h"
+
+#include "accelerator_kokkos.h"
+#include "atom.h"               // IWYU pragma: keep
 #include "atom_vec.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "modify.h"
-#include "neighbor.h"
-#include "fix.h"
 #include "compute.h"
-#include "domain.h"
-#include "output.h"
+#include "domain.h"             // IWYU pragma: keep
 #include "dump.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
 #include "group.h"
-#include "procmap.h"
 #include "irregular.h"
-#include "accelerator_kokkos.h"
-#include "memory.h"
-#include "error.h"
+#include "memory.h"             // IWYU pragma: keep
+#include "modify.h"
+#include "neighbor.h"           // IWYU pragma: keep
+#include "output.h"
+#include "pair.h"
+#include "procmap.h"
+#include "universe.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 #ifdef _OPENMP
 #include <omp.h>
diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp
index c5ec8b35f4e353230b7788b7163ed6e6a8eec155..37a4f0ae3d3134897fab2be27f515cf0180fdba7 100644
--- a/src/comm_brick.cpp
+++ b/src/comm_brick.cpp
@@ -16,19 +16,20 @@
 ------------------------------------------------------------------------- */
 
 #include "comm_brick.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "pair.h"
-#include "domain.h"
-#include "neighbor.h"
-#include "fix.h"
 #include "compute.h"
+#include "domain.h"
 #include "dump.h"
 #include "error.h"
+#include "fix.h"
 #include "memory.h"
+#include "neighbor.h"
+#include "pair.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp
index 9f0169568d27eba241ebb1bed5aac9a9905d129b..48c9680d2fa22d4b8f4fdb5f65155ca6978dfd9c 100644
--- a/src/comm_tiled.cpp
+++ b/src/comm_tiled.cpp
@@ -17,19 +17,20 @@
 ------------------------------------------------------------------------- */
 
 #include "comm_tiled.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
-#include "pair.h"
-#include "neighbor.h"
-#include "fix.h"
 #include "compute.h"
+#include "domain.h"
 #include "dump.h"
-#include "memory.h"
 #include "error.h"
+#include "fix.h"
+#include "memory.h"
+#include "neighbor.h"
+#include "pair.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute.cpp b/src/compute.cpp
index 208b93730ee11cb0a474797315c07222f24d6ece..4cde9ff567ea8dc4a7920ce4e45c2a2fba5b48c9 100644
--- a/src/compute.cpp
+++ b/src/compute.cpp
@@ -12,16 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "compute.h"
-#include <cstring>
-#include <cctype>
+
+#include "atom_masks.h"
 #include "domain.h"
-#include "force.h"
-#include "group.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "atom_masks.h"
+#include "group.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
+
+#include <cstring>
+#include <cctype>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_adf.cpp b/src/compute_adf.cpp
index 0bd329079a807158ee2029bfee8af993560b0eb8..5d55f1fbbb0eecf974a658dd754b842996478aeb 100644
--- a/src/compute_adf.cpp
+++ b/src/compute_adf.cpp
@@ -16,21 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_adf.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "neigh_list.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "comm.h"
-#include "utils.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp
index 6e28a94388b05f835584b3e4f7d8421c802fc9b7..6b6f376b4c5422aab406b6e65a6ce9e58985d137 100644
--- a/src/compute_aggregate_atom.cpp
+++ b/src/compute_aggregate_atom.cpp
@@ -16,23 +16,23 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_aggregate_atom.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "update.h"
+#include "comm.h"
+#include "error.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "pair.h"
-#include "force.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
+#include "update.h"
 
-#include "group.h"
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_angle.cpp b/src/compute_angle.cpp
index fc72a584531d28126881f253d95b09fbdda521b3..e3e44efbbb71f911228b8e6c20721e065bfc1583 100644
--- a/src/compute_angle.cpp
+++ b/src/compute_angle.cpp
@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_angle.h"
-#include <mpi.h>
+
 #include "angle.h"
-#include "update.h"
-#include "force.h"
 #include "angle_hybrid.h"
 #include "error.h"
+#include "force.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp
index 05ea963b82515ce0454a864e28b7a6541117eb2f..6c9f1d65a20ed4cb34774ac7c97ddf3c0abf6675 100644
--- a/src/compute_angmom_chunk.cpp
+++ b/src/compute_angmom_chunk.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_angmom_chunk.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "compute_chunk_atom.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_bond.cpp b/src/compute_bond.cpp
index 5cc947c7646cb0523659d7176a3b0374fed3474b..503582bc65190b896bdd44a041284cedaf7cc3f5 100644
--- a/src/compute_bond.cpp
+++ b/src/compute_bond.cpp
@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_bond.h"
-#include <mpi.h>
+
 #include "bond.h"
-#include "update.h"
-#include "force.h"
 #include "bond_hybrid.h"
 #include "error.h"
+#include "force.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp
index ae041c199751be1528ebc05cc45813142d3a9ba7..d0044410d870c6a6a6d1cc32e1466e0d33aabb81 100644
--- a/src/compute_chunk_atom.cpp
+++ b/src/compute_chunk_atom.cpp
@@ -14,29 +14,27 @@
 // NOTE: allow for bin center to be variables for sphere/cylinder
 
 #include "compute_chunk_atom.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include <map>
-#include <utility>
+
 #include "atom.h"
-#include "update.h"
-#include "force.h"
+#include "comm.h"
 #include "domain.h"
-#include "region.h"
-#include "lattice.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_store.h"
-#include "comm.h"
 #include "group.h"
 #include "input.h"
-#include "variable.h"
+#include "lattice.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "region.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
+#include <map>
+#include <utility>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/compute_chunk_spread_atom.cpp b/src/compute_chunk_spread_atom.cpp
index 579b194b9f526820bb72eb3ebcc1b0ce61d6c4dd..953ae3a8cbfdefcd7d33a98a49652797b8c80f31 100644
--- a/src/compute_chunk_spread_atom.cpp
+++ b/src/compute_chunk_spread_atom.cpp
@@ -12,18 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_chunk_spread_atom.h"
-#include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
-#include "fix.h"
 #include "compute.h"
 #include "compute_chunk_atom.h"
-#include "input.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "fix.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp
index 021665a647284af3c5d855ed951bbd799442ff64..8086ef3f41aee0272a8544d1fd880dee1d394e61 100644
--- a/src/compute_cluster_atom.cpp
+++ b/src/compute_cluster_atom.cpp
@@ -12,22 +12,22 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_cluster_atom.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
+#include "error.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "force.h"
+#include "neighbor.h"
 #include "pair.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
+#include "update.h"
 
-#include "group.h"
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp
index 8bbe2c15d053c05632f4b8e73a309cbd577725a2..e9b6f1699057db5b809d834f9851ff61fd860a57 100644
--- a/src/compute_cna_atom.cpp
+++ b/src/compute_cna_atom.cpp
@@ -16,21 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_cna_atom.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "update.h"
+
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_com_chunk.cpp b/src/compute_com_chunk.cpp
index c39911214c02d1e846156d1864bea1b33c625789..8398311a05de721fe2fbc7dd975d140b185e969f 100644
--- a/src/compute_com_chunk.cpp
+++ b/src/compute_com_chunk.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_com_chunk.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "compute_chunk_atom.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp
index be2f9c39bd03d28e8f1a54ba8255fcda9f61e810..cb919d3a836783317f19b4b9e231c770e732de19 100644
--- a/src/compute_coord_atom.cpp
+++ b/src/compute_coord_atom.cpp
@@ -12,22 +12,23 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_coord_atom.h"
-#include <cmath>
-#include <cstring>
-#include "compute_orientorder_atom.h"
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
+#include "compute_orientorder_atom.h"
+#include "error.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "force.h"
+#include "neighbor.h"
 #include "pair.h"
-#include "comm.h"
-#include "group.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_deprecated.cpp b/src/compute_deprecated.cpp
index 2419e5bc8be6a19134f15f87684e908399f93cb1..4b7e3dae3cf2ac48426065eea819c2aee0edbd2b 100644
--- a/src/compute_deprecated.cpp
+++ b/src/compute_deprecated.cpp
@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_dihedral.cpp b/src/compute_dihedral.cpp
index e50903104ab49b9b8dae84961acfc188040f5dce..8853887f184a8f825593568e9e70e7c7586576bd 100644
--- a/src/compute_dihedral.cpp
+++ b/src/compute_dihedral.cpp
@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_dihedral.h"
-#include <mpi.h>
-#include "update.h"
-#include "force.h"
+
 #include "dihedral.h"
 #include "dihedral_hybrid.h"
 #include "error.h"
+#include "force.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp
index 3790da2035216bf555931af0c4e740f2311f8472..361ee36c1827f59fde2186bd4c2d4b65ecbe6ce3 100644
--- a/src/compute_dipole_chunk.cpp
+++ b/src/compute_dipole_chunk.cpp
@@ -12,17 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_dipole_chunk.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "compute_chunk_atom.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
 #include "math_special.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/compute_displace_atom.cpp b/src/compute_displace_atom.cpp
index b20dd3bec3b727939d2fd6d096b71320d05e2c8f..4b194cfab128cd2d951e9333614027a52c454e36 100644
--- a/src/compute_displace_atom.cpp
+++ b/src/compute_displace_atom.cpp
@@ -12,19 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_displace_atom.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "group.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix_store.h"
+#include "group.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_erotate_sphere.cpp b/src/compute_erotate_sphere.cpp
index 2a8588f06176ae985cc4b61e070c851cd0e2ff2a..447b28b51a3175cd8b74f3e1dfa3e0a96f98cafa 100644
--- a/src/compute_erotate_sphere.cpp
+++ b/src/compute_erotate_sphere.cpp
@@ -12,11 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_erotate_sphere.h"
-#include <mpi.h>
+
 #include "atom.h"
-#include "update.h"
-#include "force.h"
 #include "error.h"
+#include "force.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_fragment_atom.cpp b/src/compute_fragment_atom.cpp
index 664e2fa9ecc5dae860fc148edc64cde40a8c457a..db003c93e7ae63a1a96cd86cd5d2e49c7ba8c809 100644
--- a/src/compute_fragment_atom.cpp
+++ b/src/compute_fragment_atom.cpp
@@ -16,17 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_fragment_atom.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "update.h"
-#include "modify.h"
-#include "force.h"
-#include "group.h"
 #include "comm.h"
-#include "memory.h"
 #include "error.h"
+#include "group.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp
index 0c0e34fa0c12a836f35835001c848b51221fb94c..b3e4f88bf3594aed1a204c6625629a15a7007b36 100644
--- a/src/compute_global_atom.cpp
+++ b/src/compute_global_atom.cpp
@@ -12,17 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_global_atom.h"
-#include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp
index c8876daeef26123db50a46b4209feb42b1fb97db..ca0483fce938245eeb821b48f3f5c31e0c96f60c 100644
--- a/src/compute_group_group.cpp
+++ b/src/compute_group_group.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_group_group.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
 #include "atom.h"
diff --git a/src/compute_gyration.cpp b/src/compute_gyration.cpp
index bce0c0de85fff660f24daf5947e21f89a8bf9076..81876109c474f8d36d25acb83f24f42b8f75aadb 100644
--- a/src/compute_gyration.cpp
+++ b/src/compute_gyration.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_gyration.h"
-#include <mpi.h>
+
 #include "update.h"
 #include "atom.h"
 #include "group.h"
diff --git a/src/compute_gyration_chunk.cpp b/src/compute_gyration_chunk.cpp
index 5677ce4b6a37f4f17bbd16df1a4317930307593f..ad0520bc01775ce3a5ab0daf2caeafe72d1bb686 100644
--- a/src/compute_gyration_chunk.cpp
+++ b/src/compute_gyration_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_gyration_chunk.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/compute_heat_flux.cpp b/src/compute_heat_flux.cpp
index 7b607bd4db0f27d22175db0428ab8da1514077eb..15a17949eb6bc879300a95d0efbf725e93a83324 100644
--- a/src/compute_heat_flux.cpp
+++ b/src/compute_heat_flux.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_heat_flux.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_improper.cpp b/src/compute_improper.cpp
index 181771dcfb75f5d064f6e0d9babab24c65979f50..3721dbfd4821f94bd3bbc1d9c82ae2776290881c 100644
--- a/src/compute_improper.cpp
+++ b/src/compute_improper.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_improper.h"
-#include <mpi.h>
+
 #include "update.h"
 #include "force.h"
 #include "improper.h"
diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp
index be980a08ee3c2fbf817d24842b96b69cf7ff2f35..65de1d7bb53fee9579ac516960cf37c8e74b475e 100644
--- a/src/compute_inertia_chunk.cpp
+++ b/src/compute_inertia_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_inertia_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_ke.cpp b/src/compute_ke.cpp
index c6ba478dcb4568d019f8a4127f61c89a7a053ab3..e673f7fe53a60095d40f1ed21696545cff69439a 100644
--- a/src/compute_ke.cpp
+++ b/src/compute_ke.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_ke.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/compute_msd.cpp b/src/compute_msd.cpp
index 930f979bf0351b79de771d970e9dfe1db657098b..d23c389ab6f70a3ee95cade68d696134489608dc 100644
--- a/src/compute_msd.cpp
+++ b/src/compute_msd.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_msd.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "update.h"
 #include "group.h"
@@ -22,7 +22,7 @@
 #include "modify.h"
 #include "fix_store.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_msd_chunk.cpp b/src/compute_msd_chunk.cpp
index dda921ef42bc99c3704abe3c0c1db7bdd9539a02..b0e2520f997e135398f3cf6fb512795287da2468 100644
--- a/src/compute_msd_chunk.cpp
+++ b/src/compute_msd_chunk.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_msd_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "group.h"
 #include "update.h"
@@ -24,7 +24,7 @@
 #include "fix_store.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp
index 327c64493fe041cc960bd5ddb1f77fd1ca09e8f1..4151b2cdb8ec2ce55e886b93d78df2b9a5fcafc8 100644
--- a/src/compute_omega_chunk.cpp
+++ b/src/compute_omega_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_omega_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp
index ade9f7615ede6fc5ed9affca897812e21d60d145..7323b6ef0122dfda227b5f33f1c9dd580838c85e 100644
--- a/src/compute_orientorder_atom.cpp
+++ b/src/compute_orientorder_atom.cpp
@@ -17,26 +17,25 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_orientorder_atom.h"
-#include <cstring>
-#include <cstdlib>
-#include <cmath>
+
 #include "atom.h"
-#include "update.h"
+#include "comm.h"
+#include "error.h"
+#include "force.h"
+#include "math_const.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "force.h"
+#include "neighbor.h"
 #include "pair.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
-#include "math_const.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
-using namespace std;
 
 #ifdef DBL_EPSILON
   #define MY_EPSILON (10.0*DBL_EPSILON)
diff --git a/src/compute_pair.cpp b/src/compute_pair.cpp
index 054a50bed4eb3746956ae7c5866bf293cccd17a4..7ace5615a782ed9c53a02e32abc99b2952f762c4 100644
--- a/src/compute_pair.cpp
+++ b/src/compute_pair.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pair.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cctype>
 #include "update.h"
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index 2018d929f345709806c8eee356aa62e4ebce7e36..e41221f70bae072807b77088434d247886897b5e 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -12,18 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pair_local.h"
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
-#include "update.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "neigh_list.h"
 #include "memory.h"
-#include "error.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
+#include "pair.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_pe.cpp b/src/compute_pe.cpp
index 379de0f9de3a4655584f67a1a7da8b0abef50c2b..d9ed312328e36db670c18c7e2ed3db90d0ba84ef 100644
--- a/src/compute_pe.cpp
+++ b/src/compute_pe.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pe.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_pressure.cpp b/src/compute_pressure.cpp
index 4712c834617682698a8860d615bfd4ba3175b1f3..90e4f9b39c36b2958c3ba580d4b5bdb02edcffe6 100644
--- a/src/compute_pressure.cpp
+++ b/src/compute_pressure.cpp
@@ -12,23 +12,24 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_pressure.h"
-#include <mpi.h>
-#include <cstring>
+
+#include "angle.h"
 #include "atom.h"
-#include "update.h"
+#include "bond.h"
+#include "dihedral.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "pair.h"
-#include "pair_hybrid.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
 #include "improper.h"
 #include "kspace.h"
-#include "error.h"
+#include "modify.h"
+#include "pair.h"
+#include "pair_hybrid.h"
+#include "update.h"
 
+#include <cctype>
+#include <cstring>
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
diff --git a/src/compute_property_chunk.cpp b/src/compute_property_chunk.cpp
index 579c7cae3fa85e7c458145b66deed9bf01d4b74b..c27cfc4096fa3c8a0a8a8745d53638d570beed43 100644
--- a/src/compute_property_chunk.cpp
+++ b/src/compute_property_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_property_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp
index 920228e0563b905a36ee75ad0d94946e9e83ae1e..a28223b3a7cbe5e3978d5cfa43bb1049b5bbb38b 100644
--- a/src/compute_rdf.cpp
+++ b/src/compute_rdf.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_rdf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -32,7 +32,7 @@
 #include "memory.h"
 #include "error.h"
 #include "comm.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/compute_reduce.cpp b/src/compute_reduce.cpp
index d4730c1de03bde0e5f30e26d0b227bf7e7c0df6a..b024b4365ca0a995dcded0e463e440a140930e25 100644
--- a/src/compute_reduce.cpp
+++ b/src/compute_reduce.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_reduce.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "update.h"
 #include "domain.h"
@@ -25,7 +25,7 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_reduce.h b/src/compute_reduce.h
index 9701f0e61efa48b0cd04c4c5e75c20e8043391ff..00c1a9a6b90d24d0b50583df385d812db8e151ac 100644
--- a/src/compute_reduce.h
+++ b/src/compute_reduce.h
@@ -20,7 +20,7 @@ ComputeStyle(reduce,ComputeReduce)
 #ifndef LMP_COMPUTE_REDUCE_H
 #define LMP_COMPUTE_REDUCE_H
 
-#include "compute.h"
+#include "compute.h"  // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/compute_reduce_chunk.cpp b/src/compute_reduce_chunk.cpp
index cd64c8cb1b82d079bef98627deb65d4d243875f8..6e8aa48410e67bcad5fd19842a0f845f0bc9fc5a 100644
--- a/src/compute_reduce_chunk.cpp
+++ b/src/compute_reduce_chunk.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_reduce_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "update.h"
 #include "modify.h"
@@ -25,7 +25,7 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp
index 9074124a6111ba93893e6b3810f739382ac6d05d..8153618a88cf1c9a254cd9659270587bcc9f2fe1 100644
--- a/src/compute_reduce_region.cpp
+++ b/src/compute_reduce_region.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_reduce_region.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "modify.h"
diff --git a/src/compute_slice.cpp b/src/compute_slice.cpp
index 6ff462258f631d7c7c6ac3403e377b05172acdb2..ca4b735d6e757c69284d0b230e891b54b5bdbf6a 100644
--- a/src/compute_slice.cpp
+++ b/src/compute_slice.cpp
@@ -12,17 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_slice.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include "update.h"
-#include "modify.h"
+
+#include "error.h"
 #include "fix.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_temp.cpp b/src/compute_temp.cpp
index 402b84bb4b2a72124832430f35d315e7a0330a2b..6af5d2b86c79e76ba6be2599dfc7676e7d0a727a 100644
--- a/src/compute_temp.cpp
+++ b/src/compute_temp.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/compute_temp_chunk.cpp b/src/compute_temp_chunk.cpp
index 6274ac4292d3d32aef62b0ae9146c71453b07e9b..54f052900626d8e3d2a51b93cbfbde40b8c14481 100644
--- a/src/compute_temp_chunk.cpp
+++ b/src/compute_temp_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_temp_com.cpp b/src/compute_temp_com.cpp
index dc12e8f6db003deb49454c3c8cb12542d02c5142..f69eaadf2bd8a916886da6d94c9a0b646b345238 100644
--- a/src/compute_temp_com.cpp
+++ b/src/compute_temp_com.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_com.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/compute_temp_deform.cpp b/src/compute_temp_deform.cpp
index 7d81a84bc41a9cf0079e4559937dd6796a9cf40f..b50962a2c6e3b8ab01810f3a6549032653e80967 100644
--- a/src/compute_temp_deform.cpp
+++ b/src/compute_temp_deform.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_deform.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "domain.h"
 #include "atom.h"
diff --git a/src/compute_temp_partial.cpp b/src/compute_temp_partial.cpp
index c78e830c95668ab8530cecba96d9a50c08cd8f3b..85e51d2a5d6203ffaee67cd3d6c579d0b7dc3996 100644
--- a/src/compute_temp_partial.cpp
+++ b/src/compute_temp_partial.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_partial.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "update.h"
 #include "force.h"
diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp
index c2ef1d5c1182bd04a23874d72f659244d743c832..eacca87e19b489f62ee649b4a87f49e7484f5aa0 100644
--- a/src/compute_temp_profile.cpp
+++ b/src/compute_temp_profile.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_profile.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_temp_ramp.cpp b/src/compute_temp_ramp.cpp
index 187ea2454c8a2d59b1ca639572098ce5aacffedb..3874c1f286f07f4c967554ba71d97bd2fd967a0b 100644
--- a/src/compute_temp_ramp.cpp
+++ b/src/compute_temp_ramp.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_ramp.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_temp_region.cpp b/src/compute_temp_region.cpp
index 4c0b925eb678eb3a3fdddce8f5d97d04779fca24..74955da421eb435977d5ff4a15e046387a528491 100644
--- a/src/compute_temp_region.cpp
+++ b/src/compute_temp_region.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_region.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp
index 786ef523ad8ebe51db6c552cccb04e34d495a5fe..6ef3038d68a3c8dadfcdd35514220d93840da7d4 100644
--- a/src/compute_temp_sphere.cpp
+++ b/src/compute_temp_sphere.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_temp_sphere.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_torque_chunk.cpp b/src/compute_torque_chunk.cpp
index 35eef8fe10a2577ceb6b15393402b7fef1b5b1f7..c0b648418b7d46af8701951edcf5ba0a44f60bd7 100644
--- a/src/compute_torque_chunk.cpp
+++ b/src/compute_torque_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_torque_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/compute_vacf.cpp b/src/compute_vacf.cpp
index ec19137a0e05d9740e8d9dff88d8d9772cb7037c..635c3e416108ae8559da869d1e2e73e216b52840 100644
--- a/src/compute_vacf.cpp
+++ b/src/compute_vacf.cpp
@@ -12,16 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_vacf.h"
-#include <mpi.h>
+
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "update.h"
 #include "group.h"
 #include "modify.h"
 #include "fix_store.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/compute_vcm_chunk.cpp b/src/compute_vcm_chunk.cpp
index b0a8dbeee7b5efce1b967bf8b67109fffee16222..6651110e77ee0ca1bd168d3ce639aa6d7cdd1b11 100644
--- a/src/compute_vcm_chunk.cpp
+++ b/src/compute_vcm_chunk.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "compute_vcm_chunk.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "update.h"
diff --git a/src/create_atoms.cpp b/src/create_atoms.cpp
index b121edb5b2868fbbf31c8532f4854897c73a64ce..7e84e9cce0d53d03c8a8caa106421ae88b3335a2 100644
--- a/src/create_atoms.cpp
+++ b/src/create_atoms.cpp
@@ -16,31 +16,27 @@
 ------------------------------------------------------------------------- */
 
 #include "create_atoms.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
 #include "comm.h"
-#include "irregular.h"
-#include "modify.h"
-#include "force.h"
-#include "special.h"
 #include "domain.h"
-#include "lattice.h"
-#include "region.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
-#include "random_park.h"
-#include "random_mars.h"
-#include "math_extra.h"
+#include "irregular.h"
+#include "lattice.h"
 #include "math_const.h"
-#include "error.h"
+#include "math_extra.h"
 #include "memory.h"
+#include "modify.h"
+#include "molecule.h"
+#include "random_mars.h"
+#include "random_park.h"
+#include "region.h"
+#include "special.h"
+#include "variable.h"
 
-#include <string>
-#include "utils.h"
-#include "fmt/format.h"
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp
index 4261d9f7661b283adad15bbb83336597bb767a58..9e3eb65801a8ea86d3c4e99f4ed11b6a2b4e8247 100644
--- a/src/create_bonds.cpp
+++ b/src/create_bonds.cpp
@@ -18,21 +18,19 @@
 ------------------------------------------------------------------------- */
 
 #include "create_bonds.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "comm.h"
 #include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "neigh_list.h"
-#include "comm.h"
 #include "group.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "special.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index 7dcc4748e91e26c94b6551b950e3fe185debca57..8baee645cf1e3293ec9b39b0b1486875cfd60a4b 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -12,33 +12,30 @@
 ------------------------------------------------------------------------- */
 
 #include "delete_atoms.h"
-#include <mpi.h>
-#include <cstring>
-#include <utility>
+
 #include "atom.h"
 #include "atom_vec.h"
+#include "atom_vec_body.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
-#include "atom_vec_body.h"
-#include "molecule.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "group.h"
-#include "region.h"
+#include "memory.h"
 #include "modify.h"
-#include "neighbor.h"
+#include "molecule.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
+#include "neighbor.h"
 #include "random_mars.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "region.h"
 
+#include <cstring>
 #include <map>
-#include <string>
+#include <utility>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/delete_bonds.cpp b/src/delete_bonds.cpp
index f08c94a2734ef4625a9b5d14e312bd91eadbae99..b8ec5f78835860ab76da1bc77a18a1878882a5f2 100644
--- a/src/delete_bonds.cpp
+++ b/src/delete_bonds.cpp
@@ -12,20 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "delete_bonds.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "group.h"
 #include "special.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/deprecated.cpp b/src/deprecated.cpp
index dc0ab400d4f3374676b5fe8dcaf4a395a666f50d..ab9cc8cf4432b138bc5ceff9eb78c6a82acbc116 100644
--- a/src/deprecated.cpp
+++ b/src/deprecated.cpp
@@ -16,11 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "error.h"
 #include "input.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dihedral_deprecated.cpp b/src/dihedral_deprecated.cpp
index 1709f7d3d743c3afebc7efbc280cbebfafd5474a..91ef3e8e9ef05fcb17219c8f983987cf782b74cc 100644
--- a/src/dihedral_deprecated.cpp
+++ b/src/dihedral_deprecated.cpp
@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_deprecated.h"
-#include <string>
-#include "dihedral_hybrid.h"
+
 #include "comm.h"
-#include "force.h"
+#include "dihedral_hybrid.h"
 #include "error.h"
-#include "utils.h"
+#include "force.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp
index 8f41b30d56e60620f637e7c568a99411aaafdd29..61e0fdc72af23931dd14dd01b4b18193e808a885 100644
--- a/src/dihedral_hybrid.cpp
+++ b/src/dihedral_hybrid.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_hybrid.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cctype>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dihedral_zero.cpp b/src/dihedral_zero.cpp
index 59167ca30e8a7db35f06e23b348d8cc488843145..9570590c098bb70beba142382645cb08a4a2cc77 100644
--- a/src/dihedral_zero.cpp
+++ b/src/dihedral_zero.cpp
@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "dihedral_zero.h"
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "memory.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp
index a30ac2c2b2d75d7b0c8ebbb9f0fa465bfb5f6131..018288d470ad1b59bba622599e0073a5ca68ccde 100644
--- a/src/displace_atoms.cpp
+++ b/src/displace_atoms.cpp
@@ -12,30 +12,28 @@
 ------------------------------------------------------------------------- */
 
 #include "displace_atoms.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "modify.h"
-#include "domain.h"
-#include "lattice.h"
-#include "comm.h"
-#include "irregular.h"
-#include "group.h"
-#include "math_const.h"
-#include "random_park.h"
-#include "force.h"
-#include "input.h"
-#include "variable.h"
+#include "atom_vec_body.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
-#include "atom_vec_body.h"
+#include "comm.h"
+#include "domain.h"
+#include "error.h"
+#include "group.h"
+#include "input.h"
+#include "irregular.h"
+#include "lattice.h"
+#include "math_const.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "random_park.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/domain.cpp b/src/domain.cpp
index 81de88d1eed83bea807bf42355fe49e44caf6697..984c735a2007a3ceb4d67871893981c7dd4d0007 100644
--- a/src/domain.cpp
+++ b/src/domain.cpp
@@ -16,30 +16,28 @@
 ------------------------------------------------------------------------- */
 
 #include "domain.h"
-#include <mpi.h>
-#include <cstring>
-#include <cmath>
-#include <string>
-#include "style_region.h"
+#include "style_region.h"   // IWYU pragma: keep
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
-#include "force.h"
-#include "kspace.h"
-#include "update.h"
-#include "modify.h"
+#include "comm.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_deform.h"
-#include "region.h"
+#include "force.h"
+#include "kspace.h"
 #include "lattice.h"
-#include "comm.h"
+#include "memory.h"
+#include "modify.h"
+#include "molecule.h"
 #include "output.h"
+#include "region.h"
 #include "thermo.h"
 #include "universe.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cstring>
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
@@ -108,7 +106,8 @@ Domain::Domain(LAMMPS *lmp) : Pointers(lmp)
 #define REGION_CLASS
 #define RegionStyle(key,Class) \
   (*region_map)[#key] = &region_creator<Class>;
-#include "style_region.h"
+#include "style_region.h"   // IWYU pragma: keep
+
 #undef RegionStyle
 #undef REGION_CLASS
 }
diff --git a/src/domain.h b/src/domain.h
index 58b935ce01f1502cd235797d44f7ac04085af508..d807463bf3b44f0e91024b66431adc4a4661f7bc 100644
--- a/src/domain.h
+++ b/src/domain.h
@@ -14,12 +14,13 @@
 #ifndef LMP_DOMAIN_H
 #define LMP_DOMAIN_H
 
+#include "pointers.h"
+
 #include <cmath>
 #include <map>
-#include <string>
-#include "pointers.h"
 
 namespace LAMMPS_NS {
+  class Region;
 
 class Domain : protected Pointers {
  public:
@@ -90,7 +91,7 @@ class Domain : protected Pointers {
 
   int nregion;                             // # of defined Regions
   int maxregion;                           // max # list can hold
-  class Region **regions;                  // list of defined Regions
+  Region **regions;                        // list of defined Regions
 
   int copymode;
   enum{NO_REMAP,X_REMAP,V_REMAP};
diff --git a/src/dump.cpp b/src/dump.cpp
index 0698a84e81baf35f68595ca4757312ece2479170..ecb87b79fd5753e94aa33ef58929cee681506078 100644
--- a/src/dump.cpp
+++ b/src/dump.cpp
@@ -12,21 +12,21 @@
 ------------------------------------------------------------------------- */
 
 #include "dump.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "irregular.h"
 #include "update.h"
 #include "domain.h"
 #include "group.h"
 #include "output.h"
-#include "force.h"
 #include "modify.h"
 #include "fix.h"
 #include "compute.h"
 #include "memory.h"
 #include "error.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #if defined(LMP_QSORT)
diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp
index 3b0594a2cb0f4202c2b5f948c66c43e2b9a8a2f6..167d88789c0a515f04c0fbda6bf19a2e5a203986 100644
--- a/src/dump_custom.cpp
+++ b/src/dump_custom.cpp
@@ -12,25 +12,22 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_custom.h"
-#include <cstdlib>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
-#include "force.h"
-#include "domain.h"
-#include "region.h"
-#include "group.h"
-#include "input.h"
-#include "modify.h"
 #include "compute.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_store.h"
+#include "group.h"
+#include "input.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
+#include "region.h"
 #include "update.h"
 #include "variable.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dump_deprecated.cpp b/src/dump_deprecated.cpp
index 822bed78328ad350a924a1177a5e6734bc4f33b0..ed8336eebcef4cc2344fe497e3663ffabbe353d0 100644
--- a/src/dump_deprecated.cpp
+++ b/src/dump_deprecated.cpp
@@ -12,10 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dump_image.cpp b/src/dump_image.cpp
index ea9fb612cb3f2bdd34e1ba606efcfb33e47ff029..96a338950b232b54e8bf248210530ee2f9634bed 100644
--- a/src/dump_image.cpp
+++ b/src/dump_image.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_image.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cctype>
 #include <cstring>
@@ -35,7 +35,7 @@
 #include "math_extra.h"
 #include "error.h"
 #include "memory.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/dump_local.cpp b/src/dump_local.cpp
index 666a7773bda350ad5b92297add4c7e425f950478..a71166ec574924f39d033a1b4d1cf721e231e375 100644
--- a/src/dump_local.cpp
+++ b/src/dump_local.cpp
@@ -12,19 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_local.h"
-#include <mpi.h>
-#include <cstring>
-#include <cstdlib>
-#include "modify.h"
-#include "fix.h"
+
 #include "compute.h"
 #include "domain.h"
-#include "update.h"
-#include "input.h"
-#include "memory.h"
 #include "error.h"
-#include "force.h"
-#include "utils.h"
+#include "fix.h"
+#include "memory.h"
+#include "modify.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/dump_movie.cpp b/src/dump_movie.cpp
index 4966310470aae54bac541b12a2ff3649a7b76493..5f6d0b80d7c026eb2e2a741d9d2affc53d2f33ba 100644
--- a/src/dump_movie.cpp
+++ b/src/dump_movie.cpp
@@ -16,11 +16,11 @@
 ------------------------------------------------------------------------- */
 
 #include "dump_movie.h"
-#include <cstring>
+
 #include "comm.h"
-#include "force.h"
 #include "error.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/error.cpp b/src/error.cpp
index 7458f816c091861f837db53147f127ee9113f943..0ea218887f66e70a35741088c50e1bb294fb15e9 100644
--- a/src/error.cpp
+++ b/src/error.cpp
@@ -12,16 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "error.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <string>
-#include "universe.h"
-#include "output.h"
-#include "input.h"
+
 #include "accelerator_kokkos.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "input.h"
+#include "output.h"
+#include "universe.h"
 
 #if defined(LAMMPS_EXCEPTIONS)
 #include "update.h"
diff --git a/src/error.h b/src/error.h
index 40c1559464a89ad6b4d7a692255c6f497e41c7d6..dedebc414822eb253b7a36adb92ae81c15b59e43 100644
--- a/src/error.h
+++ b/src/error.h
@@ -15,7 +15,6 @@
 #define LMP_ERROR_H
 
 #include "pointers.h"
-#include <string>
 
 #ifdef LAMMPS_EXCEPTIONS
 #include "exceptions.h"
diff --git a/src/finish.cpp b/src/finish.cpp
index 51f886b5dbb1b790b92c6c1183aa7050144069b1..3bfe3a7bbfde666cdf79c6fe2b1bfd67cfcd462b 100644
--- a/src/finish.cpp
+++ b/src/finish.cpp
@@ -12,28 +12,26 @@
 ------------------------------------------------------------------------- */
 
 #include "finish.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "accelerator_kokkos.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "molecule.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "update.h"
+#include "memory.h"             // IWYU pragma: keep
 #include "min.h"
-#include "neighbor.h"
+#include "molecule.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "memory.h"
-#include "error.h"
-#include "timer.h"
+#include "neighbor.h"           // IWYU pragma: keep
+#include "timer.h"              // IWYU pragma: keep
 #include "universe.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 #ifdef LMP_USER_OMP
 #include "modify.h"
diff --git a/src/fix.cpp b/src/fix.cpp
index 549208a0ce9fd5232dfc5e2ffd743a194319b1bc..03313739a11e0a2e496bab771f551197f36678aa 100644
--- a/src/fix.cpp
+++ b/src/fix.cpp
@@ -12,14 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix.h"
-#include <cstring>
-#include <cctype>
+
 #include "atom.h"
-#include "group.h"
-#include "force.h"
 #include "atom_masks.h"
-#include "memory.h"
 #include "error.h"
+#include "group.h"
+#include "memory.h"
+
+#include <cstring>
+#include <cctype>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp
index c07b225f9ddaaf01d170464037401f0e227e747c..dba4fde07759d885dde5e68e0d0678a5c20ad491 100644
--- a/src/fix_adapt.cpp
+++ b/src/fix_adapt.cpp
@@ -30,8 +30,8 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_addforce.cpp b/src/fix_addforce.cpp
index d5c1bbef2914064eeac5ba69bd15fbb3e5b65455..0983728ea91e757f3c6b2760fc8a92a6159f11f9 100644
--- a/src/fix_addforce.cpp
+++ b/src/fix_addforce.cpp
@@ -12,21 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_addforce.h"
-#include <mpi.h>
-#include <cstring>
-#include <cstdlib>
+
 #include "atom.h"
 #include "atom_masks.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
+#include "error.h"
+#include "input.h"
+#include "memory.h"
+#include "modify.h"
 #include "region.h"
 #include "respa.h"
-#include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_ave_atom.cpp b/src/fix_ave_atom.cpp
index a8d78f14e7714897b42fef9a6cd8c284e50db435..da009c55d5982e48db410c92369ffe8fb6bd6db2 100644
--- a/src/fix_ave_atom.cpp
+++ b/src/fix_ave_atom.cpp
@@ -12,18 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_atom.h"
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp
index dd753ddc2dcd7eb3e098010d8d051ed2675f9825..18fb33527938cbea7680da75d936d60edc823b90 100644
--- a/src/fix_ave_chunk.cpp
+++ b/src/fix_ave_chunk.cpp
@@ -12,8 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_chunk.h"
-#include <mpi.h>
-#include <cstdlib>
+
+
 #include <cstring>
 #include <unistd.h>
 #include "atom.h"
@@ -27,8 +27,8 @@
 #include "variable.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp
index 293b7fc2968394d9f1e07864b71c561c118f2f06..031dfc26bff713ef5171b5e2c55a737aaf94b953 100644
--- a/src/fix_ave_correlate.cpp
+++ b/src/fix_ave_correlate.cpp
@@ -18,20 +18,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_correlate.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <unistd.h>
-#include "update.h"
-#include "modify.h"
+
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
+#include <unistd.h>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp
index 091ec19fffa454083c98744f09fadb25096bfbf9..3a9346498fb4c7228ed1ffb309c1694d539ee551 100644
--- a/src/fix_ave_histo.cpp
+++ b/src/fix_ave_histo.cpp
@@ -12,21 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_histo.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <unistd.h>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
+#include <unistd.h>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_ave_histo_weight.cpp b/src/fix_ave_histo_weight.cpp
index 4b86681153d0175d5d60184bc60a79d86acce661..5e93df0313732c88653eb766e1b84f53aa805064 100644
--- a/src/fix_ave_histo_weight.cpp
+++ b/src/fix_ave_histo_weight.cpp
@@ -15,7 +15,7 @@
    Contributing author: Shawn Coleman (ARL)
 ------------------------------------------------------------------------- */
 #include "fix_ave_histo_weight.h"
-#include <mpi.h>
+
 #include <unistd.h>
 #include "fix.h"
 #include "atom.h"
diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp
index 4cc8cc3d3d7a9f12cccfa386f08c3c8bfff17f21..9c493b98462e7b40dd992d6c6836afaea7212d33 100644
--- a/src/fix_ave_time.cpp
+++ b/src/fix_ave_time.cpp
@@ -16,20 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_ave_time.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <unistd.h>
-#include "update.h"
-#include "force.h"
-#include "modify.h"
+
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
+#include <unistd.h>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_aveforce.cpp b/src/fix_aveforce.cpp
index b5b2527e2599108ec419d7c1b93e22adba444d17..00ec0d67ba967f9fd0da0cffbe871ffdf1e0aff6 100644
--- a/src/fix_aveforce.cpp
+++ b/src/fix_aveforce.cpp
@@ -12,18 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_aveforce.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
+#include "error.h"
+#include "input.h"
+#include "modify.h"
 #include "region.h"
 #include "respa.h"
-#include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_box_relax.cpp b/src/fix_box_relax.cpp
index 39760e947924725dd2639e7bf3a5963bbdf7dc0a..5fd9ef190e8638da8809e3921fd2ef60f1bbd229 100644
--- a/src/fix_box_relax.cpp
+++ b/src/fix_box_relax.cpp
@@ -18,7 +18,7 @@
 #include "fix_box_relax.h"
 #include <cmath>
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "domain.h"
 #include "update.h"
@@ -29,7 +29,7 @@
 #include "compute.h"
 #include "error.h"
 #include "math_extra.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_controller.cpp b/src/fix_controller.cpp
index 4b12c393cb2653b5b052bc40cdbd6866b760aaf2..92fd42f3dbaa1fb4feabae68e2909d2777260ae9 100644
--- a/src/fix_controller.cpp
+++ b/src/fix_controller.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_controller.h"
-#include <cstdlib>
-#include <cstring>
-#include "force.h"
-#include "update.h"
-#include "modify.h"
+
 #include "compute.h"
+#include "error.h"
 #include "input.h"
+#include "modify.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_deprecated.cpp b/src/fix_deprecated.cpp
index d3ceb69ea07fde43d68affd2abc63721d1721a84..877eac0524f1692991937e0f695a9aca2205dccc 100644
--- a/src/fix_deprecated.cpp
+++ b/src/fix_deprecated.cpp
@@ -12,10 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/fix_drag.cpp b/src/fix_drag.cpp
index 5b74b75fcd5781ec05302de3fdc4188ea4f9bc15..240001456948434467e057b0c3191e8e2229882a 100644
--- a/src/fix_drag.cpp
+++ b/src/fix_drag.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_drag.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_dt_reset.cpp b/src/fix_dt_reset.cpp
index 8fb4f0cdfc25a50d703f47338e07fc9bee6c4ac5..360f0d29982e876d5e35b69c1771ebdfc3af1fde 100644
--- a/src/fix_dt_reset.cpp
+++ b/src/fix_dt_reset.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_dt_reset.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/fix_enforce2d.cpp b/src/fix_enforce2d.cpp
index 7dd8c082047c6dd7db4271e931e44dbbc50e6812..be2a74d81b2af00f87200b2bb39f513c082185e1 100644
--- a/src/fix_enforce2d.cpp
+++ b/src/fix_enforce2d.cpp
@@ -19,7 +19,7 @@
 #include "modify.h"
 #include "respa.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_external.cpp b/src/fix_external.cpp
index 5d810ff38be356a0ffffa63605597c74dc962fd6..1db7e15295ca0347c3c40fe2fe1b66da93afb9f3 100644
--- a/src/fix_external.cpp
+++ b/src/fix_external.cpp
@@ -12,12 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_external.h"
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "memory.h"
 #include "error.h"
-#include "force.h"
+#include "memory.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_gravity.cpp b/src/fix_gravity.cpp
index 82b831196819a56ee15837c3b7d0e9f1c17b0946..6dff9373850a3ff957229b00c14530fe37bd6ab6 100644
--- a/src/fix_gravity.cpp
+++ b/src/fix_gravity.cpp
@@ -12,19 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_gravity.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
 #include "domain.h"
-#include "respa.h"
-#include "modify.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "math_const.h"
-#include "error.h"
-#include "force.h"
+#include "modify.h"
+#include "respa.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_group.cpp b/src/fix_group.cpp
index 5e2a12c988fcd6c0d5abce875a8521e54af0cedf..bb51fafa12618d84e7b63b7fcc2aca77b726e581 100644
--- a/src/fix_group.cpp
+++ b/src/fix_group.cpp
@@ -12,20 +12,21 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_group.h"
-#include <cstring>
-#include "group.h"
-#include "update.h"
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
 #include "domain.h"
-#include "region.h"
+#include "error.h"
+#include "group.h"
+#include "input.h"
+#include "memory.h"
 #include "modify.h"
+#include "region.h"
 #include "respa.h"
-#include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_halt.cpp b/src/fix_halt.cpp
index cf39ba61e205c0c6275af7361c76cb546d624e80..f8222e3ece3c3bd7995dbe5d898ffd90d776ba41 100644
--- a/src/fix_halt.cpp
+++ b/src/fix_halt.cpp
@@ -12,21 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_halt.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
-#include "update.h"
-#include "force.h"
-#include "input.h"
-#include "variable.h"
+
 #include "atom.h"
-#include "neighbor.h"
-#include "modify.h"
 #include "comm.h"
-#include "timer.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "input.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "timer.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp
index 7fbdd24b4c94c2c4da6b34def78ae8cfb13f5a44..e2eb3993227d21daa978f6359d19461261de791d 100644
--- a/src/fix_heat.cpp
+++ b/src/fix_heat.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_heat.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
diff --git a/src/fix_indent.cpp b/src/fix_indent.cpp
index dcddad95b21ae6aab84ec3aeb199ee7691ac8e73..ae58f27913ad833f8fb5495ca9e622b621ff7624 100644
--- a/src/fix_indent.cpp
+++ b/src/fix_indent.cpp
@@ -16,19 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_indent.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "input.h"
-#include "variable.h"
 #include "domain.h"
+#include "error.h"
+#include "input.h"
 #include "lattice.h"
-#include "update.h"
 #include "modify.h"
 #include "respa.h"
-#include "error.h"
-#include "force.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp
index 81c186c703a6bbaea5784944fb9cd49de9ad3dd2..9d0b5f28f1aee47be32a59cf26a958d7c268ccff 100644
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@@ -20,7 +20,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_langevin.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "math_extra.h"
@@ -38,7 +38,7 @@
 #include "memory.h"
 #include "error.h"
 #include "group.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_lineforce.cpp b/src/fix_lineforce.cpp
index 0287c8c0dbc06412ca8e13bc9c8e216899533545..cacec13302de9fcd20adbef75d5f348f610f37a4 100644
--- a/src/fix_lineforce.cpp
+++ b/src/fix_lineforce.cpp
@@ -12,13 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_lineforce.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
-#include "force.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp
index c1056d2b1660a4fce56485141d489b726c2e9673..259099e07c731cda812ef7dc87fc253b849c46ae 100644
--- a/src/fix_momentum.cpp
+++ b/src/fix_momentum.cpp
@@ -12,14 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_momentum.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "group.h"
 #include "error.h"
-#include "force.h"
+#include "group.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp
index d951a924fe6764dbb5a255bce5e544f5b883c93c..43415a6ef5bd53858d942c94329b6a5f73ba3b59 100644
--- a/src/fix_neigh_history.cpp
+++ b/src/fix_neigh_history.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_neigh_history.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "my_page.h"
 #include "atom.h"
diff --git a/src/fix_nh.h b/src/fix_nh.h
index 624b0c8bb469166744fa81254c96afc32d311e6b..f137ecbe558ae83240132291fb351856d85aeeea 100644
--- a/src/fix_nh.h
+++ b/src/fix_nh.h
@@ -14,7 +14,7 @@
 #ifndef LMP_FIX_NH_H
 #define LMP_FIX_NH_H
 
-#include "fix.h"
+#include "fix.h"                // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/fix_nh_sphere.cpp b/src/fix_nh_sphere.cpp
index 1ff3fc2d4d90824fb78aa4e710d0c73f43b6bf36..d60798e007e276f2b0ddb3d15416f60ad230d36b 100644
--- a/src/fix_nh_sphere.cpp
+++ b/src/fix_nh_sphere.cpp
@@ -16,15 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nh_sphere.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "atom_vec.h"
+#include "domain.h"
 #include "error.h"
 #include "force.h"
-#include "domain.h"
-#include "math_vector.h"
 #include "math_extra.h"
+#include "math_vector.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_nph.cpp b/src/fix_nph.cpp
index 9251ce384e5e13f18481e2303919a72400109919..f4ff71d3a3d1c76522d5954be4ff09ccaaad911d 100644
--- a/src/fix_nph.cpp
+++ b/src/fix_nph.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_nph.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/fix_nph_sphere.cpp b/src/fix_nph_sphere.cpp
index cf2298f5f89db845a63970ca02106383600ad044..b49eb0c5c5977b7068aeb4fa41c105edce889d3a 100644
--- a/src/fix_nph_sphere.cpp
+++ b/src/fix_nph_sphere.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_nph_sphere.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/fix_npt.cpp b/src/fix_npt.cpp
index 6949ead1d6b0480d1cb654d613d794dd2d3671a1..f6ec24991b1a99c603eb852dfac02a37a893531f 100644
--- a/src/fix_npt.cpp
+++ b/src/fix_npt.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_npt.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/fix_npt_sphere.cpp b/src/fix_npt_sphere.cpp
index e38d88fadd0f8456225c6bd22dac4ade8e55ea89..1bd879c786413d44d0f0cba65bcbcc4d4ecc6f8e 100644
--- a/src/fix_npt_sphere.cpp
+++ b/src/fix_npt_sphere.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_npt_sphere.h"
 #include <cstring>
-#include <string>
+
 #include "modify.h"
 #include "error.h"
 
diff --git a/src/fix_numdiff.cpp b/src/fix_numdiff.cpp
index f6d064b794c168e8e26374502fa88a5caf02e693..145d60e8df57fbd6ca48cb8af9ada9e2a0ae0702 100644
--- a/src/fix_numdiff.cpp
+++ b/src/fix_numdiff.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_numdiff.h"
-#include <mpi.h>
+
 #include <cstring>
 #include "atom.h"
 #include "domain.h"
diff --git a/src/fix_nve_limit.cpp b/src/fix_nve_limit.cpp
index 83a6af5d0cbb3ea1c3ff5a890c0e2bd08aa6a32c..ed79c6b21b0cd46548d693c02f9f27368380e3a6 100644
--- a/src/fix_nve_limit.cpp
+++ b/src/fix_nve_limit.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_limit.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "modify.h"
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_nve_sphere.cpp b/src/fix_nve_sphere.cpp
index c0fea17c2bb7f41e41d9da44dff0addca7875918..87fba3eca3de05c4a8f11c557168aeaf3340b208 100644
--- a/src/fix_nve_sphere.cpp
+++ b/src/fix_nve_sphere.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_nve_sphere.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "atom_vec.h"
-#include "force.h"
 #include "error.h"
-#include "math_vector.h"
+#include "force.h"
 #include "math_extra.h"
+#include "math_vector.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_nvt.cpp b/src/fix_nvt.cpp
index 7868693b697dbd62df3934ebe3d2097dd8f218aa..f7a53cf382a0f72a6907754bd1504a77daf17709 100644
--- a/src/fix_nvt.cpp
+++ b/src/fix_nvt.cpp
@@ -13,11 +13,11 @@
 
 #include "fix_nvt.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_nvt_sllod.cpp b/src/fix_nvt_sllod.cpp
index ccf7aaecaffee1aac0eb02295878bbe35af47d29..3cc88772d74017f6f3f434756f0400765a167178 100644
--- a/src/fix_nvt_sllod.cpp
+++ b/src/fix_nvt_sllod.cpp
@@ -26,7 +26,7 @@
 #include "fix_deform.h"
 #include "compute.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_nvt_sphere.cpp b/src/fix_nvt_sphere.cpp
index 40c3ba19e3acc8afbeeb12a6bf48afd725cad61b..7c4159455f7f3095144f69ceb1ce8200448e534e 100644
--- a/src/fix_nvt_sphere.cpp
+++ b/src/fix_nvt_sphere.cpp
@@ -13,11 +13,11 @@
 
 #include "fix_nvt_sphere.h"
 #include <cstring>
-#include <string>
+
 #include "group.h"
 #include "modify.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_planeforce.cpp b/src/fix_planeforce.cpp
index 9434a4b348a7f62ff2ff986de1fdd8a9603c6806..2e3bcadd69b39146314c307d72d9960b1ce03d5c 100644
--- a/src/fix_planeforce.cpp
+++ b/src/fix_planeforce.cpp
@@ -12,13 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_planeforce.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
-#include "force.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_press_berendsen.cpp b/src/fix_press_berendsen.cpp
index a430130fe47ce2a5004b0d390beba0a92497af14..a90bf86c56a3ea0898f8c5aebcede87a030d5918 100644
--- a/src/fix_press_berendsen.cpp
+++ b/src/fix_press_berendsen.cpp
@@ -14,7 +14,7 @@
 #include "fix_press_berendsen.h"
 #include <cstring>
 #include <cmath>
-#include <string>
+
 #include "atom.h"
 #include "force.h"
 #include "comm.h"
diff --git a/src/fix_print.cpp b/src/fix_print.cpp
index 8964a9ba8256a4218878661a49e8e6b7ca25f306..78fceea1841dbeb4d0063cefb88ae4ae6398e071 100644
--- a/src/fix_print.cpp
+++ b/src/fix_print.cpp
@@ -12,17 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_print.h"
-#include <mpi.h>
-#include <cstring>
-#include "update.h"
+
+#include "error.h"
 #include "input.h"
+#include "memory.h"
 #include "modify.h"
+#include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_property_atom.cpp b/src/fix_property_atom.cpp
index 374d0069fd50c7a9e8bfc393c190a652683ccdb7..07108721c48ef684f7c5a4ce75d07e5427fb2385 100644
--- a/src/fix_property_atom.cpp
+++ b/src/fix_property_atom.cpp
@@ -12,14 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_property_atom.h"
-#include <cstdlib>
+
 #include <cstring>
 #include "atom.h"
 #include "comm.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_read_restart.cpp b/src/fix_read_restart.cpp
index c1c01501773a3d4335edb1dd0e5f88de96b29e87..2e10b15ffa75b6ade309a0d976baab9accc3d4c4 100644
--- a/src/fix_read_restart.cpp
+++ b/src/fix_read_restart.cpp
@@ -12,9 +12,9 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_read_restart.h"
+
 #include "atom.h"
 #include "memory.h"
-#include "force.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_recenter.cpp b/src/fix_recenter.cpp
index 8997e4b8056c7658a171a9971aca7f20180b071f..3f9eec9ee47eb45f5b702b0130adac178ca30a5d 100644
--- a/src/fix_recenter.cpp
+++ b/src/fix_recenter.cpp
@@ -16,18 +16,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_recenter.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "group.h"
-#include "update.h"
+#include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "group.h"
 #include "lattice.h"
 #include "modify.h"
-#include "comm.h"
 #include "respa.h"
-#include "error.h"
-#include "force.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_respa.cpp b/src/fix_respa.cpp
index 459b30c1b218de733cbde8a66ffb54bdce3c2309..b116f8ccac71d3bbd51225aed3cb46cea572e229 100644
--- a/src/fix_respa.cpp
+++ b/src/fix_respa.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_respa.h"
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
 #include "memory.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp
index 305ee0ea26eabb5afc162a52f4cd815987332804..4f675bf7bf20e3d56a979c37d9f5e838bf65cec7 100644
--- a/src/fix_restrain.cpp
+++ b/src/fix_restrain.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_restrain.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,7 +29,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_setforce.cpp b/src/fix_setforce.cpp
index 1a3158ed4cfde5fc5ebbf1c4eb1c97ef32672dbb..229890c5df7eb6cc1b5a5f9e67207844d7d88b74 100644
--- a/src/fix_setforce.cpp
+++ b/src/fix_setforce.cpp
@@ -12,19 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_setforce.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
+#include "error.h"
+#include "input.h"
+#include "memory.h"
+#include "modify.h"
 #include "region.h"
 #include "respa.h"
-#include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_spring.cpp b/src/fix_spring.cpp
index 1bd76f5c55ceb42cd366866d575488aea1c6da15..2d695add269c413160ea823606a789aafc6025e1 100644
--- a/src/fix_spring.cpp
+++ b/src/fix_spring.cpp
@@ -16,14 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_spring.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
-#include "force.h"
-#include "group.h"
 #include "error.h"
+#include "group.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_spring_chunk.cpp b/src/fix_spring_chunk.cpp
index 778a6f0c435345e6338ef114c11ad40246ac41a2..d8de88bd637b8b47c85cc6bcaa6ecb16b379fb14 100644
--- a/src/fix_spring_chunk.cpp
+++ b/src/fix_spring_chunk.cpp
@@ -12,18 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_spring_chunk.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "force.h"
-#include "respa.h"
-#include "modify.h"
 #include "compute_chunk_atom.h"
 #include "compute_com_chunk.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "modify.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_spring_rg.cpp b/src/fix_spring_rg.cpp
index e3ba935340afc7694a2f5dd0ad585e57ffa8ce56..5715e7eb887035e146a1fb61d886f7d374de5224 100644
--- a/src/fix_spring_rg.cpp
+++ b/src/fix_spring_rg.cpp
@@ -17,15 +17,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_spring_rg.h"
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "group.h"
-#include "respa.h"
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+#include "group.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_spring_self.cpp b/src/fix_spring_self.cpp
index fef7e2086cb5992867642b135fc48f11556c2624..8e7b3eb925492f8fd1c912466cb66eaabce28f05 100644
--- a/src/fix_spring_self.cpp
+++ b/src/fix_spring_self.cpp
@@ -16,15 +16,15 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_spring_self.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
 #include "domain.h"
-#include "respa.h"
-#include "memory.h"
 #include "error.h"
-#include "force.h"
+#include "memory.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_store.cpp b/src/fix_store.cpp
index 8ce94fb54aa185af6ac8cd03f8d89eac8141dd4a..3eb20752504dac4026d21f22db6f0594fe44edc0 100644
--- a/src/fix_store.cpp
+++ b/src/fix_store.cpp
@@ -12,12 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_store.h"
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_store_state.cpp b/src/fix_store_state.cpp
index 60a1a70037f0d83efca246dfab3b9b21ad684d56..fd4563b7ada48a2d311cc0e171458cc991509c56 100644
--- a/src/fix_store_state.cpp
+++ b/src/fix_store_state.cpp
@@ -12,20 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_store_state.h"
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
-#include "domain.h"
-#include "update.h"
-#include "group.h"
-#include "modify.h"
 #include "compute.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
+#include "group.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "force.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_temp_berendsen.cpp b/src/fix_temp_berendsen.cpp
index 5016b8c3437c9ac8159571feb43a8e5f46519912..ec2965d072f668dd7cae71f52deb541307e92e5c 100644
--- a/src/fix_temp_berendsen.cpp
+++ b/src/fix_temp_berendsen.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_temp_berendsen.h"
 #include <cstring>
-#include <string>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
@@ -25,7 +25,7 @@
 #include "modify.h"
 #include "compute.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_temp_csld.cpp b/src/fix_temp_csld.cpp
index 5a7b9a04dbb76d0fbe2513e79be4794b53bcd4bc..cf7e9e9fe289b49d3cfcd4011e715783ee41833d 100644
--- a/src/fix_temp_csld.cpp
+++ b/src/fix_temp_csld.cpp
@@ -17,7 +17,7 @@
 
 #include "fix_temp_csld.h"
 #include <cstring>
-#include <string>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
@@ -31,7 +31,7 @@
 #include "compute.h"
 #include "random_mars.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_temp_csvr.cpp b/src/fix_temp_csvr.cpp
index 72e4dd635d77ce26d89e648eb81b3aa5a9edf655..c6209051028df466b4a0bf26a78f55c3904e7612 100644
--- a/src/fix_temp_csvr.cpp
+++ b/src/fix_temp_csvr.cpp
@@ -17,10 +17,10 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_temp_csvr.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cmath>
-#include <string>
+
 #include "atom.h"
 #include "force.h"
 #include "comm.h"
@@ -32,7 +32,7 @@
 #include "compute.h"
 #include "random_mars.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp
index e575d72f7faf2b3a441a5edf241ea92ebac46e3d..b5cb9c9a1b54e3f8350401c8c669e248949d1862 100644
--- a/src/fix_temp_rescale.cpp
+++ b/src/fix_temp_rescale.cpp
@@ -13,7 +13,7 @@
 
 #include "fix_temp_rescale.h"
 #include <cstring>
-#include <string>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
@@ -25,7 +25,7 @@
 #include "modify.h"
 #include "compute.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_tmd.cpp b/src/fix_tmd.cpp
index 98fb373075d08a0f782c690efd08ddb73bcd6ed4..12e36d890e95e6a992f7ca1946fbc9d02e4ced3b 100644
--- a/src/fix_tmd.cpp
+++ b/src/fix_tmd.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_tmd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -29,8 +29,8 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_vector.cpp b/src/fix_vector.cpp
index 48f14f5e2f2567bf8633d12988a5ac330b094e9d..6bcdfe948e7af095fbee19fc12159c7d5708fbf4 100644
--- a/src/fix_vector.cpp
+++ b/src/fix_vector.cpp
@@ -12,16 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_vector.h"
-#include <cstdlib>
-#include <cstring>
-#include "update.h"
-#include "force.h"
-#include "modify.h"
+
 #include "compute.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
+#include "modify.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_viscous.cpp b/src/fix_viscous.cpp
index 7d532d832d8c768b933bcda846302c29ca0f19f2..08649280d87c30a23a475cc33941f8d4893ba58b 100644
--- a/src/fix_viscous.cpp
+++ b/src/fix_viscous.cpp
@@ -12,12 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_viscous.h"
-#include <cstring>
+
 #include "atom.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
-#include "force.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_wall.cpp b/src/fix_wall.cpp
index 0c343938abdca9dd8eccbeb98805ff7863a9b4b2..cb822f10909cc2eec8d2dd968d30353f11724490 100644
--- a/src/fix_wall.cpp
+++ b/src/fix_wall.cpp
@@ -12,18 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall.h"
-#include <mpi.h>
-#include <cstring>
-#include "input.h"
-#include "variable.h"
+
 #include "domain.h"
+#include "error.h"
+#include "input.h"
 #include "lattice.h"
-#include "update.h"
 #include "modify.h"
 #include "respa.h"
-#include "error.h"
-#include "force.h"
-#include "utils.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_wall_reflect.cpp b/src/fix_wall_reflect.cpp
index 061083e55c5ebd0d63614b04b41bf6c4ffc0c4ce..227ef66564b227cfa15bbde22b513634da6b84d3 100644
--- a/src/fix_wall_reflect.cpp
+++ b/src/fix_wall_reflect.cpp
@@ -12,17 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_reflect.h"
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "update.h"
-#include "modify.h"
 #include "domain.h"
-#include "force.h"
-#include "lattice.h"
+#include "error.h"
 #include "input.h"
+#include "lattice.h"
+#include "modify.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp
index e60b3b4aada60055d67202144fc99347e59ae477..fc3735cfbfb6f49082644753346f88f80fa09e1a 100644
--- a/src/fix_wall_region.cpp
+++ b/src/fix_wall_region.cpp
@@ -12,17 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "fix_wall_region.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "domain.h"
-#include "region.h"
-#include "force.h"
-#include "update.h"
-#include "respa.h"
 #include "error.h"
 #include "math_const.h"
+#include "region.h"
+#include "respa.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
diff --git a/src/force.cpp b/src/force.cpp
index 10b82afabe9926586657a02d74e2133ac9f42b5d..701113d7eff4101adb57d865fd83ee1a4aeb8303 100644
--- a/src/force.cpp
+++ b/src/force.cpp
@@ -12,31 +12,27 @@
 ------------------------------------------------------------------------- */
 
 #include "force.h"
-#include <cstdlib>
-#include <cstring>
-#include <cctype>
-#include <string>
-#include "style_bond.h"
-#include "style_angle.h"
-#include "style_dihedral.h"
-#include "style_improper.h"
-#include "style_pair.h"
-#include "style_kspace.h"
+#include "style_angle.h"       // IWYU pragma: keep
+#include "style_bond.h"        // IWYU pragma: keep
+#include "style_dihedral.h"    // IWYU pragma: keep
+#include "style_improper.h"    // IWYU pragma: keep
+#include "style_kspace.h"      // IWYU pragma: keep
+#include "style_pair.h"        // IWYU pragma: keep
+
+#include "angle.h"
 #include "atom.h"
-#include "comm.h"
-#include "pair.h"
-#include "pair_hybrid.h"
-#include "pair_hybrid_overlay.h"
 #include "bond.h"
 #include "bond_hybrid.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
+#include "error.h"
 #include "improper.h"
 #include "kspace.h"
-#include "error.h"
-#include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "pair.h"
+#include "pair_hybrid.h"
+#include "pair_hybrid_overlay.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/force.h b/src/force.h
index d7824ea90eced834ac701749113a252100e1612a..1302e20f124f3fd8267cfa2f01cb3f8f75aa423b 100644
--- a/src/force.h
+++ b/src/force.h
@@ -15,10 +15,16 @@
 #define LMP_FORCE_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
+  class Angle;
+  class Bond;
+  class Dihedral;
+  class Improper;
+  class KSpace;
+  class Pair;
 
 class Force : protected Pointers {
  public:
@@ -47,23 +53,23 @@ class Force : protected Pointers {
 
   int newton,newton_pair,newton_bond;   // Newton's 3rd law settings
 
-  class Pair *pair;
+  Pair *pair;
   char *pair_style;
   char *pair_restart;
 
-  class Bond *bond;
+  Bond *bond;
   char *bond_style;
 
-  class Angle *angle;
+  Angle *angle;
   char *angle_style;
 
-  class Dihedral *dihedral;
+  Dihedral *dihedral;
   char *dihedral_style;
 
-  class Improper *improper;
+  Improper *improper;
   char *improper_style;
 
-  class KSpace *kspace;
+  KSpace *kspace;
   char *kspace_style;
 
   typedef Pair *(*PairCreator)(LAMMPS *);
@@ -102,29 +108,29 @@ class Force : protected Pointers {
   void setup();
 
   void create_pair(const std::string &, int);
-  class Pair *new_pair(const std::string &, int, int &);
-  class Pair *pair_match(const std::string &, int, int nsub=0);
+  Pair *new_pair(const std::string &, int, int &);
+  Pair *pair_match(const std::string &, int, int nsub=0);
   char *pair_match_ptr(Pair *);
 
   void create_bond(const std::string &, int);
-  class Bond *new_bond(const std::string &, int, int &);
-  class Bond *bond_match(const std::string &);
+  Bond *new_bond(const std::string &, int, int &);
+  Bond *bond_match(const std::string &);
 
   void create_angle(const std::string &, int);
-  class Angle *new_angle(const std::string &, int, int &);
-  class Angle *angle_match(const std::string &);
+  Angle *new_angle(const std::string &, int, int &);
+  Angle *angle_match(const std::string &);
 
   void create_dihedral(const std::string &, int);
-  class Dihedral *new_dihedral(const std::string &, int, int &);
-  class Dihedral *dihedral_match(const std::string &);
+  Dihedral *new_dihedral(const std::string &, int, int &);
+  Dihedral *dihedral_match(const std::string &);
 
   void create_improper(const std::string &, int);
-  class Improper *new_improper(const std::string &, int, int &);
-  class Improper *improper_match(const std::string &);
+  Improper *new_improper(const std::string &, int, int &);
+  Improper *improper_match(const std::string &);
 
   void create_kspace(const std::string &, int);
-  class KSpace *new_kspace(const std::string &, int, int &);
-  class KSpace *kspace_match(const std::string &, int);
+  KSpace *new_kspace(const std::string &, int, int &);
+  KSpace *kspace_match(const std::string &, int);
 
   void store_style(char *&, const std::string &, int);
   void set_special(int, char **);
diff --git a/src/group.cpp b/src/group.cpp
index 2377f028bdba360c0045e536c18c9ad7bed78a21..a2e20a6ab173ba2a07dcbf22e053c61dddd1d226 100644
--- a/src/group.cpp
+++ b/src/group.cpp
@@ -12,30 +12,28 @@
 ------------------------------------------------------------------------- */
 
 #include "group.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <string>
-#include <utility>
-#include "domain.h"
+
 #include "atom.h"
-#include "force.h"
 #include "comm.h"
-#include "region.h"
-#include "modify.h"
-#include "fix.h"
 #include "compute.h"
-#include "output.h"
-#include "input.h"
-#include "variable.h"
+#include "domain.h"
 #include "dump.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
+#include "input.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "output.h"
+#include "region.h"
+#include "variable.h"
 
+#include <cmath>
+#include <cstring>
 #include <map>
+#include <utility>
+#include <vector>
 
 using namespace LAMMPS_NS;
 
@@ -538,7 +536,7 @@ void Group::assign(int narg, char **arg)
 
 void Group::assign(const std::string &groupcmd)
 {
-  std::vector<std::string> args = utils::split_words(groupcmd);
+  auto args = utils::split_words(groupcmd);
   char **newarg = new char*[args.size()];
   int i=0;
   for (const auto &arg : args) {
diff --git a/src/group.h b/src/group.h
index b9a5c27140846a87bc95b9d22a6548afb1ab9bfe..39c446d119e8831345c2824f362927b0fccfc7d2 100644
--- a/src/group.h
+++ b/src/group.h
@@ -15,8 +15,8 @@
 #define LMP_GROUP_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/image.cpp b/src/image.cpp
index 56d9bc301a9077f55f3f82fb66093ff4d407f845..755be587d887e3de11b7d3c101232e4c781f85e1 100644
--- a/src/image.cpp
+++ b/src/image.cpp
@@ -16,16 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "image.h"
-#include <mpi.h>
-#include <cmath>
-#include <cctype>
-#include <cstring>
-#include "math_extra.h"
-#include "random_mars.h"
-#include "math_const.h"
+
 #include "error.h"
-#include "force.h"
+#include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
+#include "random_mars.h"
+
+#include <cctype>
+#include <cmath>
+#include <cstring>
 
 #ifdef LAMMPS_JPEG
 #include <jpeglib.h>
diff --git a/src/imbalance_group.cpp b/src/imbalance_group.cpp
index 72b102879152941f3233b13cc68bab639fc8c59f..f604f150b52bef92d18746378bacb75fca8c6de8 100644
--- a/src/imbalance_group.cpp
+++ b/src/imbalance_group.cpp
@@ -12,12 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "imbalance_group.h"
+
 #include "atom.h"
-#include "force.h"
-#include "group.h"
 #include "error.h"
-#include <string>
-#include "fmt/format.h"
+#include "group.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/imbalance_neigh.cpp b/src/imbalance_neigh.cpp
index 0beb62bdb41941bdff00033c2dfc71602ce74dc5..70d5580b9c58ea7e588da14f7e10c9d793798c8a 100644
--- a/src/imbalance_neigh.cpp
+++ b/src/imbalance_neigh.cpp
@@ -12,15 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "imbalance_neigh.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_request.h"
-#include "neigh_list.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/imbalance_store.cpp b/src/imbalance_store.cpp
index 919d1f3f6150a85c26e74922fe30e234c0910ea6..2661b57b25f0663327536a075d3d25e975afae56 100644
--- a/src/imbalance_store.cpp
+++ b/src/imbalance_store.cpp
@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "imbalance_store.h"
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/imbalance_time.cpp b/src/imbalance_time.cpp
index 99e549e90ec0cec2aabd381c521c99dc67255caf..438728ef3ef751cde05e5e0d0296ad7646877a6b 100644
--- a/src/imbalance_time.cpp
+++ b/src/imbalance_time.cpp
@@ -12,12 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "imbalance_time.h"
-#include <mpi.h>
+
 #include "atom.h"
-#include "force.h"
-#include "timer.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "timer.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/imbalance_var.cpp b/src/imbalance_var.cpp
index d1a76ed9f7c122d7b35faef2b305c5b08df93718..a2c940789e43379fe30de3abab21c6f11ea09fbc 100644
--- a/src/imbalance_var.cpp
+++ b/src/imbalance_var.cpp
@@ -12,15 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "imbalance_var.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
+#include "error.h"
 #include "group.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "variable.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/improper_deprecated.cpp b/src/improper_deprecated.cpp
index 0c1a45603e3e09817b8ffb24e95d6b9b6a0258e9..431cc039974515af0c7e651ce0c41f5db089bc87 100644
--- a/src/improper_deprecated.cpp
+++ b/src/improper_deprecated.cpp
@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_deprecated.h"
-#include <string>
+
 #include "improper_hybrid.h"
 #include "comm.h"
 #include "force.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp
index ce0f36539fcfcf1c72a72c05d33c1f95c21755be..096e0c36142f8dc74d6d9265544dce82d74d24d5 100644
--- a/src/improper_hybrid.cpp
+++ b/src/improper_hybrid.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_hybrid.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cctype>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/improper_zero.cpp b/src/improper_zero.cpp
index f269f8bf030269c69b88be2c190bfd7aed1b7de4..3da38a890c34979ae8596c61d8932d822e402982 100644
--- a/src/improper_zero.cpp
+++ b/src/improper_zero.cpp
@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "improper_zero.h"
-#include <cstring>
+
 #include "atom.h"
-#include "force.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
+#include "memory.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/info.cpp b/src/info.cpp
index fbe43442f0f84af4426da4223d10dd0a18ac98e2..87161e9ca5412f9d58b5f963599fc698f772a376 100644
--- a/src/info.cpp
+++ b/src/info.cpp
@@ -17,39 +17,37 @@
 ------------------------------------------------------------------------- */
 
 #include "info.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <cctype>
-#include <ctime>
-#include <map>
-#include <string>
+
 #include "accelerator_kokkos.h"
+#include "angle.h"
 #include "atom.h"
+#include "bond.h"
 #include "comm.h"
 #include "compute.h"
+#include "dihedral.h"
 #include "domain.h"
 #include "dump.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "pair.h"
-#include "pair_hybrid.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
-#include "improper.h"
 #include "group.h"
+#include "improper.h"
 #include "input.h"
 #include "modify.h"
 #include "neighbor.h"
 #include "output.h"
+#include "pair.h"
+#include "pair_hybrid.h"
 #include "region.h"
 #include "universe.h"
-#include "variable.h"
 #include "update.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "variable.h"
+
+#include <cctype>
+#include <cmath>
+#include <cstring>
+#include <ctime>
+#include <map>
 
 #ifdef _WIN32
 #define PSAPI_VERSION 1
@@ -105,6 +103,8 @@ static const int STYLES = ATOM_STYLES | INTEGRATE_STYLES | MINIMIZE_STYLES
                         | DUMP_STYLES | COMMAND_STYLES;
 }
 
+using namespace LAMMPS_NS;
+
 static const char *varstyles[] = {
   "index", "loop", "world", "universe", "uloop", "string", "getenv",
   "file", "atomfile", "format", "equal", "atom", "vector", "python", "internal", "(unknown)"};
@@ -116,17 +116,15 @@ static const char *commlayout[] = { "uniform", "nonuniform", "irregular" };
 
 static const char bstyles[] = "pfsm";
 
-using namespace LAMMPS_NS;
-using namespace std;
-
 template<typename ValueType>
-static void print_columns(FILE* fp, map<string, ValueType> * styles);
+static void print_columns(FILE *fp, std::map<std::string, ValueType> *styles);
 
 template<typename ValueType>
-static bool find_style(const LAMMPS * lmp, map<string, ValueType> * styles, const string & name, bool suffix_check);
+static bool find_style(const LAMMPS *lmp, std::map<std::string, ValueType> *styles,
+                       const std::string &name, bool suffix_check);
 
 template<typename ValueType>
-static vector<string> get_style_names(map<string, ValueType> * styles);
+static std::vector<std::string> get_style_names(std::map<std::string, ValueType> *styles);
 
 /* ---------------------------------------------------------------------- */
 
@@ -357,7 +355,7 @@ void Info::command(int narg, char **arg)
 
   if (flags & COMM) {
     int major,minor;
-    string version = get_mpi_info(major,minor);
+    std::string version = get_mpi_info(major,minor);
 
     fmt::print(out,"\nCommunication information:\n"
                "MPI library level: MPI v{}.{}\n"
@@ -949,7 +947,7 @@ bool Info::is_defined(const char *category, const char *name)
   return false;
 }
 
-bool Info::has_style(const string & category, const string & name)
+bool Info::has_style(const std::string &category, const std::string &name)
 {
   if ( category == "atom" ) {
     return find_style(lmp, atom->avec_map, name, false);
@@ -983,7 +981,7 @@ bool Info::has_style(const string & category, const string & name)
   return false;
 }
 
-vector<string> Info::get_available_styles(const string & category)
+std::vector<std::string> Info::get_available_styles(const std::string &category)
 {
   if ( category == "atom" ) {
     return get_style_names(atom->avec_map);
@@ -1014,13 +1012,13 @@ vector<string> Info::get_available_styles(const string & category)
   } else if( category == "command" ) {
     return get_style_names(input->command_map);
   }
-  return vector<string>();
+  return std::vector<std::string>();
 }
 
 template<typename ValueType>
-static vector<string> get_style_names(map<string, ValueType> * styles)
+static std::vector<std::string> get_style_names(std::map<std::string, ValueType> *styles)
 {
-  vector<string> names;
+  std::vector<std::string> names;
 
   names.reserve(styles->size());
   for(auto const& kv : *styles) {
@@ -1033,7 +1031,8 @@ static vector<string> get_style_names(map<string, ValueType> * styles)
 }
 
 template<typename ValueType>
-static bool find_style(const LAMMPS* lmp, map<string, ValueType> * styles, const string & name, bool suffix_check)
+static bool find_style(const LAMMPS *lmp, std::map<std::string, ValueType> *styles,
+                       const std::string &name, bool suffix_check)
 {
   if (styles->find(name) != styles->end()) {
     return true;
@@ -1041,13 +1040,13 @@ static bool find_style(const LAMMPS* lmp, map<string, ValueType> * styles, const
 
   if (suffix_check && lmp->suffix_enable) {
     if (lmp->suffix) {
-      string name_w_suffix = name + "/" + lmp->suffix;
+      std::string name_w_suffix = name + "/" + lmp->suffix;
       if (find_style(lmp, styles, name_w_suffix, false)) {
         return true;
       }
     }
     if (lmp->suffix2) {
-      string name_w_suffix = name + "/" + lmp->suffix2;
+      std::string name_w_suffix = name + "/" + lmp->suffix2;
       if (find_style(lmp, styles, name_w_suffix, false)) {
         return true;
       }
@@ -1057,7 +1056,7 @@ static bool find_style(const LAMMPS* lmp, map<string, ValueType> * styles, const
 }
 
 template<typename ValueType>
-static void print_columns(FILE* fp, map<string, ValueType> * styles)
+static void print_columns(FILE *fp, std::map<std::string, ValueType> *styles)
 {
   if (styles->empty()) {
     fprintf(fp, "\nNone");
@@ -1066,8 +1065,8 @@ static void print_columns(FILE* fp, map<string, ValueType> * styles)
 
   // std::map keys are already sorted
   int pos = 80;
-  for(typename map<string, ValueType>::iterator it = styles->begin(); it != styles->end(); ++it) {
-    const string & style_name = it->first;
+  for(typename std::map<std::string, ValueType>::iterator it = styles->begin(); it != styles->end(); ++it) {
+    const std::string &style_name = it->first;
 
     // skip "secret" styles
     if (isupper(style_name[0])) continue;
@@ -1149,9 +1148,9 @@ bool Info::has_package(const char * package_name) {
 /* ---------------------------------------------------------------------- */
 #define _INFOBUF_SIZE 256
 
-string Info::get_os_info()
+std::string Info::get_os_info()
 {
-  string buf;
+  std::string buf;
 
 #if defined(_WIN32)
   DWORD fullversion,majorv,minorv,buildv=0;
@@ -1191,9 +1190,9 @@ string Info::get_os_info()
   return buf;
 }
 
-string Info::get_compiler_info()
+std::string Info::get_compiler_info()
 {
-  string buf;
+  std::string buf;
 #if __clang__
   buf = fmt::format("Clang C++ {}", __VERSION__);
 #elif __INTEL_COMPILER
@@ -1208,7 +1207,7 @@ string Info::get_compiler_info()
   return buf;
 }
 
-string Info::get_openmp_info()
+std::string Info::get_openmp_info()
 {
 
 #if !defined(_OPENMP)
@@ -1243,7 +1242,7 @@ string Info::get_openmp_info()
 #endif
 }
 
-string Info::get_mpi_vendor() {
+std::string Info::get_mpi_vendor() {
   #if defined(MPI_STUBS)
   return "MPI STUBS";
   #elif defined(OPEN_MPI)
@@ -1263,7 +1262,7 @@ string Info::get_mpi_vendor() {
   #endif
 }
 
-string Info::get_mpi_info(int &major, int &minor)
+std::string Info::get_mpi_info(int &major, int &minor)
 {
   int len;
 #if (defined(MPI_VERSION) && (MPI_VERSION > 2)) || defined(MPI_STUBS)
@@ -1279,10 +1278,10 @@ string Info::get_mpi_info(int &major, int &minor)
     char *ptr = strchr(version+80,'\n');
     if (ptr) *ptr = '\0';
   }
-  return string(version);
+  return std::string(version);
 }
 
-string Info::get_cxx_info()
+std::string Info::get_cxx_info()
 {
 #if __cplusplus > 201703L
   return "newer than C++17";
diff --git a/src/info.h b/src/info.h
index 5a379eaa7845ba7c17527f9279a71a14cde53a89..65690ab28e27b13dabcaa207c5903ef0f2f281ed 100644
--- a/src/info.h
+++ b/src/info.h
@@ -21,7 +21,7 @@ CommandStyle(info,Info)
 #define LMP_INFO_H
 
 #include "pointers.h"
-#include <string>
+
 #include <vector>
 
 namespace LAMMPS_NS {
diff --git a/src/input.cpp b/src/input.cpp
index c74232648c7a635fabeba3b40b3430acff921f88..1cb789387107ac22280a38f7c559986e8bc8cd8c 100644
--- a/src/input.cpp
+++ b/src/input.cpp
@@ -12,45 +12,42 @@
 ------------------------------------------------------------------------- */
 
 #include "input.h"
-#include <mpi.h>
-#include <cstdlib>
-#include <cstring>
-#include <errno.h>
-#include <cctype>
-#include <unistd.h>
-#include <sys/stat.h>
-#include "style_command.h"
-#include "universe.h"
+
+#include "accelerator_kokkos.h"
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
+#include "bond.h"
 #include "comm.h"
 #include "comm_brick.h"
 #include "comm_tiled.h"
-#include "group.h"
-#include "domain.h"
-#include "output.h"
-#include "thermo.h"
-#include "force.h"
-#include "pair.h"
-#include "min.h"
-#include "modify.h"
 #include "compute.h"
-#include "fix.h"
-#include "bond.h"
-#include "angle.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
+#include "group.h"
 #include "improper.h"
 #include "kspace.h"
-#include "update.h"
+#include "memory.h"
+#include "min.h"
+#include "modify.h"
 #include "neighbor.h"
+#include "output.h"
+#include "pair.h"
 #include "special.h"
+#include "style_command.h"
+#include "thermo.h"
 #include "timer.h"
+#include "universe.h"
+#include "update.h"
 #include "variable.h"
-#include "accelerator_kokkos.h"
-#include "error.h"
-#include "memory.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
+#include <errno.h>
+#include <cctype>
+#include <sys/stat.h>
+#include <unistd.h>
 
 #ifdef _WIN32
 #include <direct.h>
diff --git a/src/input.h b/src/input.h
index 48caa13fde0ddad50f5d61b74c689a57775dca9e..b8ffb276f9a834d1843eb0712be7eabcadd62ae8 100644
--- a/src/input.h
+++ b/src/input.h
@@ -15,8 +15,8 @@
 #define LMP_INPUT_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/irregular.cpp b/src/irregular.cpp
index 2213b37d55d35d4d77b07fa38f49132a9f604a14..f6de6947bd8eec0fce1514a0434c888ccc26e90c 100644
--- a/src/irregular.cpp
+++ b/src/irregular.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "irregular.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
 #include "comm.h"
-#include "modify.h"
+#include "domain.h"
 #include "fix.h"
 #include "memory.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/kspace.cpp b/src/kspace.cpp
index 2485db67b87bd8522559ba8492884becd6ad573a..e51cc54c973a3e8e4d86c5a54e52466e7d36aad0 100644
--- a/src/kspace.cpp
+++ b/src/kspace.cpp
@@ -12,21 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "kspace.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include <string>
+
 #include "atom.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
-#include "pair.h"
 #include "memory.h"
-#include "atom_masks.h"
-#include "error.h"
+#include "pair.h"
 #include "suffix.h"
-#include "domain.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/kspace_deprecated.cpp b/src/kspace_deprecated.cpp
index 5dc2b50e2be091c29a7b487e1318fe5fa6912f09..16e9ff6abb037e722be651894332b0129ee8b42a 100644
--- a/src/kspace_deprecated.cpp
+++ b/src/kspace_deprecated.cpp
@@ -16,11 +16,10 @@
 ------------------------------------------------------------------------- */
 
 #include "kspace_deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "force.h"
 #include "error.h"
-#include "utils.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/lammps.cpp b/src/lammps.cpp
index ded9d93167eed6ce244b0850948546e41da759e9..4d643c327cb43006243d719d17bf63867c039f00 100644
--- a/src/lammps.cpp
+++ b/src/lammps.cpp
@@ -12,13 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "lammps.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include <cctype>
-#include <map>
-#include <string>
+
 #include "style_angle.h"     // IWYU pragma: keep
 #include "style_atom.h"      // IWYU pragma: keep
 #include "style_bond.h"      // IWYU pragma: keep
@@ -36,12 +30,12 @@
 #include "universe.h"
 #include "input.h"
 #include "info.h"
-#include "atom.h"
+#include "atom.h"            // IWYU pragma: keep
 #include "update.h"
-#include "neighbor.h"
+#include "neighbor.h"        // IWYU pragma: keep
 #include "comm.h"
 #include "comm_brick.h"
-#include "domain.h"
+#include "domain.h"          // IWYU pragma: keep
 #include "force.h"
 #include "modify.h"
 #include "group.h"
@@ -54,8 +48,11 @@
 #include "version.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cctype>
+#include <cmath>
+#include <cstring>
+#include <map>
 
 #include "lmpinstalledpkgs.h"
 #include "lmpgitversion.h"
diff --git a/src/lattice.cpp b/src/lattice.cpp
index f41c32d2394981a1950a73dfc66b05dd2ba1c040..68f3e7abe12050ab4eeee7f95beb9cb924c80049 100644
--- a/src/lattice.cpp
+++ b/src/lattice.cpp
@@ -12,17 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "lattice.h"
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include "update.h"
-#include "domain.h"
+
 #include "comm.h"
-#include "force.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "memory.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/library.cpp b/src/library.cpp
index 30d52aefe5b0d3622ce2e1bd670a120d9d25833e..3f37aecd7a1316c34e5d9bce05b80fdf9bfc4faa 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -16,33 +16,31 @@
 
 #include "library.h"
 #include <mpi.h>
-#include <cctype>
-#include <cstring>
-#include <cstdlib>
-#include <string>
-#include "universe.h"
-#include "atom_vec.h"
+
 #include "atom.h"
+#include "atom_vec.h"
+#include "comm.h"
+#include "compute.h"
 #include "domain.h"
-#include "update.h"
+#include "error.h"
+#include "fix.h"
+#include "fix_external.h"
+#include "force.h"
 #include "group.h"
+#include "info.h"
 #include "input.h"
-#include "variable.h"
+#include "memory.h"
 #include "modify.h"
+#include "neigh_list.h"
+#include "neighbor.h"
 #include "output.h"
 #include "thermo.h"
-#include "compute.h"
-#include "fix.h"
-#include "comm.h"
-#include "memory.h"
-#include "error.h"
-#include "force.h"
-#include "info.h"
-#include "fix_external.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "fmt/format.h"
+#include "universe.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
+#include <vector>
 
 #if defined(LAMMPS_EXCEPTIONS)
 #include "exceptions.h"
diff --git a/src/lmptype.h b/src/lmptype.h
index e2e7a88a42d4cfb366762ea548b9a8f0d2344f0d..e0e081dd129abdc1d0fe2e90a0449cc997748c51 100644
--- a/src/lmptype.h
+++ b/src/lmptype.h
@@ -42,10 +42,10 @@
 #define __STDC_FORMAT_MACROS
 #endif
 
-#include <climits>
-#include <cstdlib>
-#include <cstdint>
-#include <cinttypes>
+#include <climits>    // IWYU pragma: export
+#include <cstdlib>    // IWYU pragma: export
+#include <cstdint>    // IWYU pragma: export
+#include <cinttypes>  // IWYU pragma: export
 
 // grrr - IBM Power6 does not provide this def in their system header files
 
diff --git a/src/main.cpp b/src/main.cpp
index 9fb084aaea681aec5b003c82dccc3851197f0ab7..d705db4e5bda55631a1d3507fadf7ddb709f5e17 100644
--- a/src/main.cpp
+++ b/src/main.cpp
@@ -12,9 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "lammps.h"
-#include <mpi.h>
 #include "input.h"
 
+#include <mpi.h>
+#include <cstdlib>
+
 #if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE)
 #include <fenv.h>
 #endif
diff --git a/src/memory.cpp b/src/memory.cpp
index 6211687a7af6e6b7c159c01166a33b1a51a770ca..bbbc233bbf81b5eef5bff16ae398f984eb7e28f2 100644
--- a/src/memory.cpp
+++ b/src/memory.cpp
@@ -12,9 +12,8 @@
 ------------------------------------------------------------------------- */
 
 #include "memory.h"
-#include <cstdlib>
+
 #include "error.h"
-#include "fmt/format.h"
 
 #if defined(LMP_USER_INTEL) && defined(__INTEL_COMPILER)
 #ifndef LMP_INTEL_NO_TBB
diff --git a/src/min.cpp b/src/min.cpp
index 0bf04455258436f3ee896f97834ba9247ae39347..6bcb4b4e2e1e11f17b6e4b26c0bf91a1aee1ef37 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -20,32 +20,32 @@
 ------------------------------------------------------------------------- */
 
 #include "min.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
+#include "bond.h"
 #include "comm.h"
-#include "update.h"
-#include "modify.h"
-#include "fix_minimize.h"
 #include "compute.h"
-#include "neighbor.h"
-#include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "fix_minimize.h"
+#include "force.h"
 #include "improper.h"
 #include "kspace.h"
+#include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
 #include "timer.h"
-#include "math_const.h"
-#include "memory.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/min.h b/src/min.h
index b23c9b66700bcecc4c4d82f1b6ca89004f1c92d8..1db196a55e8e69331645b50ac493175573b0ed16 100644
--- a/src/min.h
+++ b/src/min.h
@@ -14,7 +14,7 @@
 #ifndef LMP_MIN_H
 #define LMP_MIN_H
 
-#include "pointers.h"
+#include "pointers.h"           // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/min_cg.cpp b/src/min_cg.cpp
index 46da4bfa5ba5cea9c77f224f33202dde39fb3bea..511b16cef86144f3c726d80fe3bca6f98cb91145 100644
--- a/src/min_cg.cpp
+++ b/src/min_cg.cpp
@@ -12,12 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "min_cg.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "error.h"
-#include "update.h"
 #include "output.h"
 #include "timer.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/min_fire.cpp b/src/min_fire.cpp
index 53bedfbb6c2ae9570082884da17068378915061e..b7225a1a5a47876c4fa59ccbbad60eaa52f9c007 100644
--- a/src/min_fire.cpp
+++ b/src/min_fire.cpp
@@ -16,21 +16,18 @@
                          Erik Bitzek, FAU Erlangen-Nuernberg
 ------------------------------------------------------------------------- */
 
-#include <cmath>
 #include "min_fire.h"
-#include "universe.h"
+
 #include "atom.h"
+#include "comm.h"
+#include "error.h"
 #include "force.h"
-#include "update.h"
 #include "output.h"
 #include "timer.h"
-#include "error.h"
-#include "variable.h"
-#include "modify.h"
-#include "compute.h"
-#include "domain.h"
-#include "neighbor.h"
-#include "comm.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/min_fire_old.cpp b/src/min_fire_old.cpp
index bd76b2d1fcafce45e89b047e24f7a4efaa129423..6efd00a4b85902f5af3e18b34fde2ab47bf8de54 100644
--- a/src/min_fire_old.cpp
+++ b/src/min_fire_old.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "min_fire_old.h"
-#include <mpi.h>
-#include <cmath>
-#include "universe.h"
+
 #include "atom.h"
 #include "error.h"
 #include "force.h"
-#include "update.h"
 #include "output.h"
 #include "timer.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/min_hftn.cpp b/src/min_hftn.cpp
index 63432aab63593c3c0499f65226d7ce787c4707c7..909f0b0689cfc4c74a0a3726dbab770b2f4c5991 100644
--- a/src/min_hftn.cpp
+++ b/src/min_hftn.cpp
@@ -18,17 +18,18 @@
 ------------------------------------------------------------------------- */
 
 #include "min_hftn.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "error.h"
 #include "fix_minimize.h"
 #include "modify.h"
 #include "output.h"
 #include "pair.h"
-#include "update.h"
 #include "timer.h"
+#include "update.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/min_linesearch.cpp b/src/min_linesearch.cpp
index a7a10dcd5172fd39e49e300906b6c59e01964a7d..7226f616147deb4d811d321a47831ac665b2a55b 100644
--- a/src/min_linesearch.cpp
+++ b/src/min_linesearch.cpp
@@ -22,15 +22,16 @@
 ------------------------------------------------------------------------- */
 
 #include "min_linesearch.h"
-#include <mpi.h>
-#include <cmath>
+
 #include "atom.h"
-#include "modify.h"
 #include "fix_minimize.h"
-#include "pair.h"
+#include "modify.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
 
+#include <cmath>
+
 using namespace LAMMPS_NS;
 
 // ALPHA_MAX = max alpha allowed to avoid long backtracks
diff --git a/src/min_quickmin.cpp b/src/min_quickmin.cpp
index 5e7643bf3be0796118494a80147e1020822d93f6..025e80b95db0c667b4b9eb5915936d35665bd023 100644
--- a/src/min_quickmin.cpp
+++ b/src/min_quickmin.cpp
@@ -12,15 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "min_quickmin.h"
-#include <mpi.h>
-#include <cmath>
-#include "universe.h"
+
 #include "atom.h"
 #include "error.h"
 #include "force.h"
-#include "update.h"
 #include "output.h"
 #include "timer.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/min_sd.cpp b/src/min_sd.cpp
index d973ec1c8267410a0aed4aa38165591bf5bee092..5868acbe48c9641e9492a1772679d3f3c00a2d47 100644
--- a/src/min_sd.cpp
+++ b/src/min_sd.cpp
@@ -12,11 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "min_sd.h"
-#include <cmath>
+
 #include "error.h"
-#include "update.h"
 #include "output.h"
 #include "timer.h"
+#include "update.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/minimize.cpp b/src/minimize.cpp
index 01463907635418cc1dabedfe6f156d74857e5ee6..451412ecc8a8dc7d14c9a08cfc3aaf1df282af76 100644
--- a/src/minimize.cpp
+++ b/src/minimize.cpp
@@ -12,13 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "minimize.h"
+
 #include "domain.h"
-#include "update.h"
-#include "min.h"
+#include "error.h"
 #include "finish.h"
+#include "min.h"
 #include "timer.h"
-#include "error.h"
-#include "force.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/modify.cpp b/src/modify.cpp
index 96335946ae6abbd0b5e0109fda3a05ff6a4d45c0..c88d52b6237573234de7004cb01904da81358f96 100644
--- a/src/modify.cpp
+++ b/src/modify.cpp
@@ -12,24 +12,24 @@
 ------------------------------------------------------------------------- */
 
 #include "modify.h"
-#include <cstring>
-#include <string>
 #include "style_compute.h"
 #include "style_fix.h"
+
 #include "atom.h"
 #include "comm.h"
-#include "fix.h"
 #include "compute.h"
-#include "group.h"
-#include "update.h"
 #include "domain.h"
-#include "region.h"
+#include "error.h"
+#include "fix.h"
+#include "group.h"
 #include "input.h"
-#include "variable.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "region.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cstring>
+#include <vector>
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -947,7 +947,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
 
 void Modify::add_fix(const std::string &fixcmd, int trysuffix)
 {
-  std::vector<std::string> args = utils::split_words(fixcmd);
+  auto args = utils::split_words(fixcmd);
   char **newarg = new char*[args.size()];
   int i=0;
   for (const auto &arg : args) {
@@ -1249,7 +1249,7 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
 
 void Modify::add_compute(const std::string &computecmd, int trysuffix)
 {
-  std::vector<std::string> args = utils::split_words(computecmd);
+  auto args = utils::split_words(computecmd);
   char **newarg = new char*[args.size()];
   int i=0;
   for (const auto &arg : args) {
diff --git a/src/modify.h b/src/modify.h
index 05eebc7e141c3bef2ae38238756eeb63c2dbdb05..4c3db0a1b9fb9412c2b115c148d199d65d7dcfc4 100644
--- a/src/modify.h
+++ b/src/modify.h
@@ -15,11 +15,14 @@
 #define LMP_MODIFY_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
 
+  class Compute;
+  class Fix;
+
 class Modify : protected Pointers {
   friend class Info;
   friend class FixSRP;
@@ -27,7 +30,6 @@ class Modify : protected Pointers {
   friend class RespaOMP;
 
  public:
-  int nfix,maxfix;
   int n_initial_integrate,n_post_integrate,n_pre_exchange;
   int n_pre_neighbor,n_post_neighbor;
   int n_pre_force,n_pre_reverse,n_post_force;
@@ -41,11 +43,12 @@ class Modify : protected Pointers {
   int nfix_restart_global;   // stored fix global info from restart file
   int nfix_restart_peratom;  // stored fix peratom info from restart file
 
-  class Fix **fix;           // list of fixes
+  int nfix,maxfix;
+  Fix **fix;                 // list of fixes
   int *fmask;                // bit mask for when each fix is applied
 
-  int ncompute,maxcompute;   // list of computes
-  class Compute **compute;
+  int ncompute,maxcompute;
+  Compute **compute;         // list of computes
 
   Modify(class LAMMPS *);
   virtual ~Modify();
diff --git a/src/molecule.cpp b/src/molecule.cpp
index 18f5c389928d5fe64cfdb069669229940d12bb04..0d81f49a5083c9af3288dd1c37743b4c579ba2d1 100644
--- a/src/molecule.cpp
+++ b/src/molecule.cpp
@@ -12,23 +12,22 @@
 ------------------------------------------------------------------------- */
 
 #include "molecule.h"
-#include <mpi.h>
-#include <cctype>
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_body.h"
-#include "force.h"
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
 #include "tokenizer.h"
 
+#include <cctype>
+#include <cmath>
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define MAXLINE 256
diff --git a/src/molecule.h b/src/molecule.h
index d752be3f81bdd8fccb59643b738dc25f2b6e7588..5a3fa5a32764e0f58a81f62c5975d46dc48636d7 100644
--- a/src/molecule.h
+++ b/src/molecule.h
@@ -15,7 +15,7 @@
 #define LMP_ONE_MOLECULE_H
 
 #include "pointers.h"
-#include <string>
+
 #include <vector>
 
 namespace LAMMPS_NS {
diff --git a/src/neigh_list.h b/src/neigh_list.h
index 501188a72439a9ec3f317ef27de3632dfb86507c..c26b00813634d78afdcc95173c9827d45257e60c 100644
--- a/src/neigh_list.h
+++ b/src/neigh_list.h
@@ -14,7 +14,7 @@
 #ifndef LMP_NEIGH_LIST_H
 #define LMP_NEIGH_LIST_H
 
-#include "pointers.h"
+#include "pointers.h"           // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/neighbor.cpp b/src/neighbor.cpp
index c9b16f67a0fb7f7299b84d3922bca9a5ddb900ea..66ab92496ae0e57dc557b72308c401885c63ec50 100644
--- a/src/neighbor.cpp
+++ b/src/neighbor.cpp
@@ -16,38 +16,37 @@
 ------------------------------------------------------------------------- */
 
 #include "neighbor.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
+#include "atom.h"
+#include "atom_vec.h"
+#include "citeme.h"
+#include "comm.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
+#include "group.h"
+#include "memory.h"
+#include "modify.h"
+#include "nbin.h"
 #include "neigh_list.h"
 #include "neigh_request.h"
-#include "nbin.h"
-#include "nstencil.h"
 #include "npair.h"
+#include "nstencil.h"
 #include "ntopo.h"
+#include "output.h"
+#include "pair.h"
+#include "pair_hybrid.h"
+#include "respa.h"
 #include "style_nbin.h"
-#include "style_nstencil.h"
 #include "style_npair.h"
+#include "style_nstencil.h"
 #include "style_ntopo.h"
-#include "atom.h"
-#include "atom_vec.h"
-#include "comm.h"
-#include "force.h"
-#include "pair.h"
-#include "pair_hybrid.h"
-#include "domain.h"
-#include "group.h"
-#include "modify.h"
-#include "fix.h"
-#include "compute.h"
 #include "update.h"
-#include "respa.h"
-#include "output.h"
-#include "citeme.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace NeighConst;
diff --git a/src/ntopo.cpp b/src/ntopo.cpp
index ca63b8532818f102ae0699c64d76f7edc5bb6cb5..d4ddcc7fc0528a6a7d3b0142943b14328fb77196 100644
--- a/src/ntopo.cpp
+++ b/src/ntopo.cpp
@@ -12,13 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo.h"
-#include <mpi.h>
+
 #include "atom.h"
-#include "neighbor.h"
 #include "comm.h"
 #include "domain.h"
-#include "memory.h"
 #include "error.h"
+#include "memory.h"
+#include "neighbor.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_angle_all.cpp b/src/ntopo_angle_all.cpp
index 71521e6891b33bdc74e588dec1212c8a8180e2a9..21ac894d92668d498f54c32c61e2d72940150707 100644
--- a/src/ntopo_angle_all.cpp
+++ b/src/ntopo_angle_all.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_angle_all.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_angle_partial.cpp b/src/ntopo_angle_partial.cpp
index c72073718e409332421bc16e2c15c98c41bf611b..583339ed110c1be86be3b7fbd1aec7f0b4775b50 100644
--- a/src/ntopo_angle_partial.cpp
+++ b/src/ntopo_angle_partial.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_angle_partial.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_angle_template.cpp b/src/ntopo_angle_template.cpp
index d6303a0ad4d4f08a476ce5408f0ee4844911a46a..17e17ca462d6a61b8b7706968df51522dbd52bc2 100644
--- a/src/ntopo_angle_template.cpp
+++ b/src/ntopo_angle_template.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_angle_template.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "force.h"
@@ -23,7 +23,7 @@
 #include "molecule.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_bond_all.cpp b/src/ntopo_bond_all.cpp
index 9fac01bdba2f7aa5100b83979b855fb5b19f6909..20ec5aa290c39dc24d6da63895fe4d1e57aa6a62 100644
--- a/src/ntopo_bond_all.cpp
+++ b/src/ntopo_bond_all.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_bond_all.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_bond_partial.cpp b/src/ntopo_bond_partial.cpp
index 138f8f4330ec252d80f6b4e3f44067bff7564283..9b5914b2c83165212872372ca9167d85763b11fa 100644
--- a/src/ntopo_bond_partial.cpp
+++ b/src/ntopo_bond_partial.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_bond_partial.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_bond_template.cpp b/src/ntopo_bond_template.cpp
index a651715320f639f1943cd4917e35635b20c6faa1..88a31460d9cee01d46b19c603868299756115016 100644
--- a/src/ntopo_bond_template.cpp
+++ b/src/ntopo_bond_template.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_bond_template.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "force.h"
@@ -23,7 +23,7 @@
 #include "molecule.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_dihedral_all.cpp b/src/ntopo_dihedral_all.cpp
index 81193605c1d37c99eb744b075eb268cd0643c1ec..bcfe8ce712080e63d21524faa74fcbe0ee51041d 100644
--- a/src/ntopo_dihedral_all.cpp
+++ b/src/ntopo_dihedral_all.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_dihedral_all.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_dihedral_partial.cpp b/src/ntopo_dihedral_partial.cpp
index 855fa800b620ad2ffcbb62e9ac03814de4f8fd2d..31a78c5c4828d0904d4e1a999b68b2f34358ee13 100644
--- a/src/ntopo_dihedral_partial.cpp
+++ b/src/ntopo_dihedral_partial.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_dihedral_partial.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_dihedral_template.cpp b/src/ntopo_dihedral_template.cpp
index 06fac504000a1a4019e749c3107121f495d43d07..0d2a9451e095ebae868f1ad2d696f6095408995a 100644
--- a/src/ntopo_dihedral_template.cpp
+++ b/src/ntopo_dihedral_template.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_dihedral_template.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "force.h"
@@ -23,7 +23,7 @@
 #include "molecule.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_improper_all.cpp b/src/ntopo_improper_all.cpp
index e839e9161b119cb2f984ae2ff708c070e1161901..53f229a86a01e66e3b47cf8c9f3c4c5ca5265893 100644
--- a/src/ntopo_improper_all.cpp
+++ b/src/ntopo_improper_all.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_improper_all.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_improper_partial.cpp b/src/ntopo_improper_partial.cpp
index c4c6ec317712178f4f120bd4772345ae4aca865a..8fc619c9e48723c3e6f98e33c7e2f49a29438fa0 100644
--- a/src/ntopo_improper_partial.cpp
+++ b/src/ntopo_improper_partial.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_improper_partial.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "force.h"
 #include "domain.h"
@@ -21,7 +21,7 @@
 #include "thermo.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/ntopo_improper_template.cpp b/src/ntopo_improper_template.cpp
index 060ba173fddba22fa17dfb7b993ef3f1d07a2b01..bd19d5877ccde700cf4fbc54e225a888713799df 100644
--- a/src/ntopo_improper_template.cpp
+++ b/src/ntopo_improper_template.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "ntopo_improper_template.h"
-#include <mpi.h>
+
 #include "atom.h"
 #include "atom_vec.h"
 #include "force.h"
@@ -23,7 +23,7 @@
 #include "molecule.h"
 #include "memory.h"
 #include "error.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/output.cpp b/src/output.cpp
index 16d2fa54a0e710d46dc14b7229c527567ee61f4e..6c90198de4da3a81efb1dec223da0a794a1cf722 100644
--- a/src/output.cpp
+++ b/src/output.cpp
@@ -12,27 +12,25 @@
 ------------------------------------------------------------------------- */
 
 #include "output.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include "style_dump.h"
+#include "style_dump.h"         // IWYU pragma: keep
+
 #include "atom.h"
-#include "neighbor.h"
-#include "input.h"
-#include "variable.h"
 #include "comm.h"
-#include "update.h"
-#include "group.h"
 #include "domain.h"
-#include "thermo.h"
-#include "modify.h"
-#include "force.h"
 #include "dump.h"
-#include "write_restart.h"
-#include "memory.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "force.h"
+#include "group.h"
+#include "input.h"
+#include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
+#include "thermo.h"
+#include "update.h"
+#include "variable.h"
+#include "write_restart.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -81,7 +79,7 @@ Output::Output(LAMMPS *lmp) : Pointers(lmp)
 #define DUMP_CLASS
 #define DumpStyle(key,Class) \
   (*dump_map)[#key] = &dump_creator<Class>;
-#include "style_dump.h"
+#include "style_dump.h"         // IWYU pragma: keep
 #undef DumpStyle
 #undef DUMP_CLASS
 }
diff --git a/src/output.h b/src/output.h
index 1bf4128ee0f190609518500a36ec3629b602f9fb..06be7b244a8c2535d72e687e5a70182841ec6efc 100644
--- a/src/output.h
+++ b/src/output.h
@@ -15,11 +15,13 @@
 #define LMP_OUTPUT_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
 
+class Dump;
+
 class Output : protected Pointers {
  public:
   bigint next;                 // next timestep for any kind of output
@@ -39,7 +41,7 @@ class Output : protected Pointers {
   bigint *last_dump;           // last timestep each snapshot was output
   char **var_dump;             // variable name for dump frequency
   int *ivar_dump;              // variable index for dump frequency
-  class Dump **dump;           // list of defined Dumps
+  Dump **dump;                 // list of defined Dumps
 
   int restart_flag;            // 1 if any restart files are written
   int restart_flag_single;     // 1 if single restart files are written
diff --git a/src/pair.cpp b/src/pair.cpp
index e003ef740ac1d9fe9bb95026c2890c61c580d330..d869bbe8d8e98bd64c47f0692aa6e3edc77c9d43 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -16,28 +16,26 @@
 ------------------------------------------------------------------------- */
 
 #include "pair.h"
-#include <mpi.h>
-#include <cfloat>    // IWYU pragma: keep
-#include <climits>   // IWYU pragma: keep
-#include <cmath>
-#include <cstring>
-#include <ctime>
-#include <string>
+
 #include "atom.h"
-#include "neighbor.h"
-#include "domain.h"
+#include "atom_masks.h"
 #include "comm.h"
+#include "compute.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "compute.h"
-#include "suffix.h"
-#include "atom_masks.h"
-#include "memory.h"
 #include "math_const.h"
-#include "error.h"
+#include "memory.h"
+#include "neighbor.h"
+#include "suffix.h"
 #include "update.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cfloat>    // IWYU pragma: keep
+#include <climits>   // IWYU pragma: keep
+#include <cmath>
+#include <cstring>
+#include <ctime>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_beck.cpp b/src/pair_beck.cpp
index a858f8791065662eb5febca85deeb86cd0fb71f4..87aa0bab5f2dc69380623b0cdedad775907d25d6 100644
--- a/src/pair_beck.cpp
+++ b/src/pair_beck.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_beck.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "memory.h"
 #include "error.h"
 #include "math_special.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
diff --git a/src/pair_born.cpp b/src/pair_born.cpp
index ca0ab9a17b997288d1f906d4801a0231bff0513c..5b0d3a656210af8b078da355f4eafe33b45822fd 100644
--- a/src/pair_born.cpp
+++ b/src/pair_born.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_born.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_born_coul_dsf.cpp b/src/pair_born_coul_dsf.cpp
index 1a6b12a3458f9ed442495b8d8e138ea8c491879d..e4617b5c4b847d0a70c6b95bd9fb6ac5d6c454bc 100644
--- a/src/pair_born_coul_dsf.cpp
+++ b/src/pair_born_coul_dsf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_born_coul_dsf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -28,7 +28,7 @@
 #include "memory.h"
 #include "error.h"
 #include "math_special.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp
index 4c51b0bb9f09b6bdb28acac7be96ee67a5e1be30..30fe8fcde9021d542857509782d347df715ff71c 100644
--- a/src/pair_born_coul_wolf.cpp
+++ b/src/pair_born_coul_wolf.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_born_coul_wolf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_buck.cpp b/src/pair_buck.cpp
index 91071fccb1c5050905deafdd7245a0253b80b424..1abdbcc68bd618011bb6b41dddd040bc1a181e37 100644
--- a/src/pair_buck.cpp
+++ b/src/pair_buck.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp
index 6141205db051bd36da6ad6fb52f6852f2787f257..9fac17aede4e9a2a8dfa68d6627cb5df9781568a 100644
--- a/src/pair_buck_coul_cut.cpp
+++ b/src/pair_buck_coul_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_buck_coul_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp
index d19374b5d9b167d3a7ceaf4f6a4e755bd15c2ee4..67c471a5e3e52f665e859286f14add67ec5beee7 100644
--- a/src/pair_coul_cut.cpp
+++ b/src/pair_coul_cut.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_coul_debye.cpp b/src/pair_coul_debye.cpp
index 2a3def0d4f20830a287b07ad009af375c3bf4e34..20937182455d6dfbc28f0ad27284c1c6a04e11d4 100644
--- a/src/pair_coul_debye.cpp
+++ b/src/pair_coul_debye.cpp
@@ -12,14 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_debye.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
 #include "force.h"
 #include "neigh_list.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp
index 2f1a834060f53c4934603f45d44aa25420aae2c3..ee124c7f59f500dfa83652c88ec9f7acd2faedbf 100644
--- a/src/pair_coul_dsf.cpp
+++ b/src/pair_coul_dsf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_dsf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "memory.h"
 #include "math_const.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_coul_streitz.cpp b/src/pair_coul_streitz.cpp
index efe8d460177a3bd4f5404476ac8662aab73bb800..e538275b3ca3fd1b4bcaf65964ca8ce273c463d7 100644
--- a/src/pair_coul_streitz.cpp
+++ b/src/pair_coul_streitz.cpp
@@ -16,23 +16,22 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_streitz.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
+#include "error.h"
 #include "force.h"
 #include "kspace.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
 #include "math_const.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "neighbor.h"
 #include "potential_file_reader.h"
+#include "tokenizer.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp
index e94c4abb73bedf3ab3801c395e4f3109819bada4..e3079dcaf659e8c6e77d1e62625e134e75d7452b 100644
--- a/src/pair_coul_wolf.cpp
+++ b/src/pair_coul_wolf.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_coul_wolf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_deprecated.cpp b/src/pair_deprecated.cpp
index 75cb7efcdf96ed61d245357b757ca9251486da5f..046726892e318d59210a19441678bb4cae74c1a6 100644
--- a/src/pair_deprecated.cpp
+++ b/src/pair_deprecated.cpp
@@ -16,12 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_deprecated.h"
-#include <string>
+
 #include "pair_hybrid.h"
 #include "comm.h"
 #include "force.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp
index 613ad90cc39986c413bdfc2c4d0edeef6283c7dd..d0d9b98fc9f4bbd60eac9ad20c8cd46e065f9c92 100644
--- a/src/pair_dpd.cpp
+++ b/src/pair_dpd.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_dpd.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -27,7 +27,7 @@
 #include "random_mars.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_dpd_tstat.cpp b/src/pair_dpd_tstat.cpp
index 3f3f05f7f5a6fed85100698aa0aa6922539aed69..dd0e144953a4b15650cf7bfa970ccefcece2be4a 100644
--- a/src/pair_dpd_tstat.cpp
+++ b/src/pair_dpd_tstat.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_dpd_tstat.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "update.h"
@@ -21,7 +21,7 @@
 #include "comm.h"
 #include "random_mars.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp
index d8b8e36b8c1c012c5486e77c84cab61fea861daf..67322967641dc952d98d4a4a6686d4f079264555 100644
--- a/src/pair_gauss.cpp
+++ b/src/pair_gauss.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_gauss.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -25,7 +25,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp
index 693ed7fa243d6e4f961936f8b699119df45e64a6..0b1882f12be0d299df7beb772fd0c413640d1d5a 100644
--- a/src/pair_hybrid.cpp
+++ b/src/pair_hybrid.cpp
@@ -13,7 +13,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_hybrid.h"
-#include <mpi.h>
+
 #include <cstring>
 #include <cctype>
 #include "atom.h"
@@ -26,9 +26,9 @@
 #include "memory.h"
 #include "error.h"
 #include "respa.h"
-#include "utils.h"
+
 #include "suffix.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_hybrid_overlay.cpp b/src/pair_hybrid_overlay.cpp
index dc8ac65dd44edd966d4847a0410dc816c8970f84..34c4cfe41864e7d7fdbd808beb1623c30dafce9f 100644
--- a/src/pair_hybrid_overlay.cpp
+++ b/src/pair_hybrid_overlay.cpp
@@ -12,12 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_hybrid_overlay.h"
-#include <cstring>
-#include <cctype>
+
 #include "atom.h"
-#include "force.h"
 #include "error.h"
-#include "utils.h"
+
+#include <cstring>
+#include <cctype>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp
index c60908e8cf9cac203388536e4639bf9c795db3d0..a4ba3b858517e66152c229d6ea17c3f9555017d8 100644
--- a/src/pair_lj96_cut.cpp
+++ b/src/pair_lj96_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj96_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp
index 833c9543305192a5ce39a5486e82bc3205795de2..b6c91cafe205d15a12af7283f60cba098da54477 100644
--- a/src/pair_lj_cubic.cpp
+++ b/src/pair_lj_cubic.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cubic.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace PairLJCubicConstants;
diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp
index fedf029fb85cc0e7cd1393f0b6971056c8c4f270..bd42801f3b1c3e77d5095b594ccada83256594f2 100644
--- a/src/pair_lj_cut.cpp
+++ b/src/pair_lj_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp
index a11de35c537a68ca110b01d30865b7656b210d2c..669d48c86090ac159b82d19d34cf891c303e68c4 100644
--- a/src/pair_lj_cut_coul_cut.cpp
+++ b/src/pair_lj_cut_coul_cut.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -23,7 +23,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp
index 2d4b0bbe98da21c8dc3f5d71a7b05e94b783f8ca..3ddb898c8feeb7e65599b7e1f61c4e2450958f18 100644
--- a/src/pair_lj_cut_coul_debye.cpp
+++ b/src/pair_lj_cut_coul_debye.cpp
@@ -12,14 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_debye.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "neigh_list.h"
 #include "force.h"
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp
index 2d9368a0cafcb1960fe3c351d9e5dfd3bc347f66..952a140039db532bee480a57840019f03f27d8c0 100644
--- a/src/pair_lj_cut_coul_dsf.cpp
+++ b/src/pair_lj_cut_coul_dsf.cpp
@@ -17,7 +17,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_dsf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -28,7 +28,7 @@
 #include "memory.h"
 #include "math_const.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp
index c6fa33f03c141ddd1638ce80ab587a2f7921a85e..749cc9e6a952cbbaff5b1818d455ea5ffe330733 100644
--- a/src/pair_lj_cut_coul_wolf.cpp
+++ b/src/pair_lj_cut_coul_wolf.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_cut_coul_wolf.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -26,7 +26,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp
index 1063d056721836fe94067eba9bd6f09f88ffe46d..3f711e2a159b700d04b7dcdd738e68050ba51884 100644
--- a/src/pair_lj_expand.cpp
+++ b/src/pair_lj_expand.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_expand.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp
index b7e3516ec3b2590c16d64e311dcd7fefdff53212..0818c60f315caadf640bfbd66f75e03df1250021 100644
--- a/src/pair_lj_gromacs.cpp
+++ b/src/pair_lj_gromacs.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_gromacs.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp
index 37837b695f1cf0c1bc67d98c608cf6e07a8d6ac1..005bc44061d3a4a591f0bbfeb1674e723ede817f 100644
--- a/src/pair_lj_gromacs_coul_gromacs.cpp
+++ b/src/pair_lj_gromacs_coul_gromacs.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_gromacs_coul_gromacs.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -25,7 +25,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp
index 5c6bc671f910490c8c278c20a0b90486cda23f8b..a53d703b8bbe7fb67f35cdac5958b9a6612750ae 100644
--- a/src/pair_lj_smooth.cpp
+++ b/src/pair_lj_smooth.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_smooth.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp
index 14646f19f27bd819cdbea098bf8871d002cf82f3..3697208d42bf7358b36161b32afa568a9cd054e3 100644
--- a/src/pair_lj_smooth_linear.cpp
+++ b/src/pair_lj_smooth_linear.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_lj_smooth_linear.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "comm.h"
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp
index f838d961454a1efcd6e66d70cc839681a7f11aa6..7447e143f7de53a33462fae644378c0f64d72efa 100644
--- a/src/pair_mie_cut.cpp
+++ b/src/pair_mie_cut.cpp
@@ -16,7 +16,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_mie_cut.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -30,7 +30,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp
index cbfaccab2ce0b6edb57c2b995e3e6146e626fdc4..efcc1aa81182d476a54b16750fcb64a166f9a92b 100644
--- a/src/pair_morse.cpp
+++ b/src/pair_morse.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_morse.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -21,7 +21,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp
index 4d3702313e952e70f4efdec10f9a526adc171de2..f3dd139b694ddfb15095d3ce7d6f66d016312c7e 100644
--- a/src/pair_soft.cpp
+++ b/src/pair_soft.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_soft.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -22,7 +22,7 @@
 #include "math_const.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/pair_table.cpp b/src/pair_table.cpp
index 4aec954c38efe0b90257d9b992e06fe0a42d6cc4..1711465ffa551d72217c791eeb571ac05a4f76cd 100644
--- a/src/pair_table.cpp
+++ b/src/pair_table.cpp
@@ -16,21 +16,21 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_table.h"
-#include <mpi.h>
+
 #include <cmath>
-#include <cstdlib>
+
 #include <cstring>
-#include <string>
+
 #include "atom.h"
 #include "force.h"
 #include "comm.h"
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 #include "tokenizer.h"
 #include "table_file_reader.h"
-#include "fmt/format.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp
index fd700e98862ec0c145e76f0922ee57dd52fa72f2..50cc87cf96234afc18b2a4acfaa03955e95a0f2d 100644
--- a/src/pair_ufm.cpp
+++ b/src/pair_ufm.cpp
@@ -18,7 +18,7 @@
  ------------------------------------------------------------------------- */
 
 #include "pair_ufm.h"
-#include <mpi.h>
+
 #include <cmath>
 #include <cstring>
 #include "atom.h"
@@ -27,7 +27,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp
index b746204892105cd1541bbb2bc3b46dfdf61292f2..64294923462a9807620f3c362d431b5d2d28c7ef 100644
--- a/src/pair_yukawa.cpp
+++ b/src/pair_yukawa.cpp
@@ -12,7 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_yukawa.h"
-#include <mpi.h>
+
 #include <cmath>
 #include "atom.h"
 #include "force.h"
@@ -20,7 +20,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp
index d78c1569359b014f15b41b854be348348ed7b5b8..68c63c98060e8bab8f84cd425871fe757a00c4b4 100644
--- a/src/pair_zbl.cpp
+++ b/src/pair_zbl.cpp
@@ -24,7 +24,7 @@
 #include "neigh_list.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
 
 // From J.F. Zeigler, J. P. Biersack and U. Littmark,
 // "The Stopping and Range of Ions in Matter" volume 1, Pergamon, 1985.
diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp
index f08d919f83eb1464461896ee4de5ff21c211fc91..976bb1ba332db7aa7e4c9ee9cb02df23ce07fb91 100644
--- a/src/pair_zero.cpp
+++ b/src/pair_zero.cpp
@@ -16,14 +16,13 @@
 ------------------------------------------------------------------------- */
 
 #include "pair_zero.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "comm.h"
-#include "force.h"
 #include "memory.h"
 #include "error.h"
-#include "utils.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/pointers.h b/src/pointers.h
index 4b91e009ac63865924139d30af3b4304bc730fc8..04f682f04504574286fc076a345e3c7537edb6c2 100644
--- a/src/pointers.h
+++ b/src/pointers.h
@@ -21,13 +21,14 @@
 #ifndef LMP_POINTERS_H
 #define LMP_POINTERS_H
 
-#include "lmptype.h"   // IWYU pragma: export
-#include <mpi.h>       // IWYU pragma: export
-#include <cstddef>     // IWYU pragme: export
-#include <cstdio>      // IWYU pragma: export
-#include <string>      // IWYU pragma: export
-#include "lammps.h"    // IWYU pragma: export
-#include "utils.h"     // IWYU pragma: export
+#include "lmptype.h"    // IWYU pragma: export
+#include <mpi.h>        // IWYU pragma: export
+#include <cstddef>      // IWYU pragme: export
+#include <cstdio>       // IWYU pragma: export
+#include <string>       // IWYU pragma: export
+#include "lammps.h"     // IWYU pragma: export
+#include "utils.h"      // IWYU pragma: export
+#include "fmt/format.h" // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/potential_file_reader.cpp b/src/potential_file_reader.cpp
index 62658a9ac5a5ba7d89f2d1cd73cf47bdeea1ab19..a71d7944d6fd3b3a9121ab7ba3a3b5fb4b9fdf08 100644
--- a/src/potential_file_reader.cpp
+++ b/src/potential_file_reader.cpp
@@ -15,17 +15,13 @@
    Contributing authors: Richard Berger (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "lammps.h"
-#include "force.h"
-#include "error.h"
-#include "comm.h"
 #include "potential_file_reader.h"
-#include "update.h"
-#include "utils.h"
-#include "tokenizer.h"
-#include "fmt/format.h"
 
-#include <cstring>
+#include "comm.h"
+#include "error.h"
+#include "text_file_reader.h"
+#include "tokenizer.h"
+#include "update.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/potential_file_reader.h b/src/potential_file_reader.h
index 9094d3957a64a56cb4c81484333b1e4894236fec..d3befca282b00971de740041990bc7ad64c9d8fa 100644
--- a/src/potential_file_reader.h
+++ b/src/potential_file_reader.h
@@ -18,14 +18,13 @@
 #ifndef LMP_POTENTIAL_FILE_READER_H
 #define LMP_POTENTIAL_FILE_READER_H
 
-#include <string>
-
-#include "pointers.h"
+#include "pointers.h"           // IWYU pragma: export
 #include "tokenizer.h"
-#include "text_file_reader.h"
 
 namespace LAMMPS_NS
 {
+  class TextFileReader;
+
   class PotentialFileReader : protected Pointers {
   protected:
     TextFileReader *reader;
diff --git a/src/procmap.cpp b/src/procmap.cpp
index 1741e351fe12a2fc9d79b62235cad5ecfc909647..f80af9330eeae4269a04caef17e9ee58f57b32e7 100644
--- a/src/procmap.cpp
+++ b/src/procmap.cpp
@@ -16,18 +16,18 @@
 ------------------------------------------------------------------------- */
 
 #include "procmap.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <map>
-#include <string>
-#include <utility>
-#include "universe.h"
+
 #include "comm.h"
 #include "domain.h"
+#include "error.h"
 #include "math_extra.h"
 #include "memory.h"
-#include "error.h"
+#include "universe.h"
+
+#include <cmath>
+#include <cstring>
+#include <map>
+#include <utility>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/rcb.cpp b/src/rcb.cpp
index 2cc70a2de9530730a48e23228b7a07e902752f42..03c99560b30dd4f94c565d53696a79ecf3004e29 100644
--- a/src/rcb.cpp
+++ b/src/rcb.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "rcb.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "irregular.h"
 #include "memory.h"
 
+#include <cstring>
+
 using namespace LAMMPS_NS;
 
 #define MYHUGE 1.0e30
diff --git a/src/read_data.cpp b/src/read_data.cpp
index 7224ac89ea1ec9581886e5b438e1a7f82b7b2474..2a6801b3a578c9c5d4659f1f1db364e37fd6c530 100644
--- a/src/read_data.cpp
+++ b/src/read_data.cpp
@@ -16,34 +16,32 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "read_data.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include <cctype>
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
-#include "molecule.h"
-#include "group.h"
+#include "bond.h"
 #include "comm.h"
-#include "update.h"
-#include "modify.h"
+#include "dihedral.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
 #include "force.h"
-#include "pair.h"
-#include "domain.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
-#include "special.h"
 #include "irregular.h"
-#include "error.h"
 #include "memory.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "molecule.h"
+#include "pair.h"
+#include "special.h"
+#include "update.h"
+
+#include <cctype>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/read_dump.cpp b/src/read_dump.cpp
index fbafb4ca8482b9924b3d35ba17ad51bd4fd203c5..10218fe61707a1e93b0e55bb464882ea9de5db07 100644
--- a/src/read_dump.cpp
+++ b/src/read_dump.cpp
@@ -20,22 +20,19 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "read_dump.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
-#include "reader.h"
-#include "style_reader.h"
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "update.h"
-#include "domain.h"
 #include "comm.h"
-#include "force.h"
-#include "irregular.h"
+#include "domain.h"
 #include "error.h"
+#include "irregular.h"
 #include "memory.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "reader.h"
+#include "style_reader.h"       // IWYU pragma: keep
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
@@ -246,7 +243,7 @@ void ReadDump::setup_reader(int narg, char **arg)
     for (int i = 0; i < nreader; i++) \
       readers[i] = new Class(lmp); \
   }
-#include "style_reader.h"
+#include "style_reader.h"       // IWYU pragma: keep
 #undef READER_CLASS
 
   // unrecognized style
diff --git a/src/read_restart.cpp b/src/read_restart.cpp
index 157992bce3b593da129b27d235e794334961a434..dcab9f834c4fcd11f5a1b40ee1bb322163b7c7ba 100644
--- a/src/read_restart.cpp
+++ b/src/read_restart.cpp
@@ -12,31 +12,30 @@
 ------------------------------------------------------------------------- */
 
 #include "read_restart.h"
-#include <mpi.h>
-#include <cstring>
-#include <dirent.h>
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
+#include "bond.h"
 #include "comm.h"
-#include "irregular.h"
-#include "update.h"
-#include "modify.h"
+#include "dihedral.h"
+#include "domain.h"
+#include "error.h"
 #include "fix_read_restart.h"
-#include "group.h"
 #include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
+#include "irregular.h"
+#include "memory.h"
+#include "modify.h"
+#include "mpiio.h"
+#include "pair.h"
 #include "special.h"
 #include "universe.h"
-#include "mpiio.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cstring>
+#include <dirent.h>
 
 #include "lmprestart.h"
 
diff --git a/src/reader.cpp b/src/reader.cpp
index 2a6e4bf90caca508ea6f4156ea7e7aaa5a655a1c..8230fa3ed306f452a8a887e86593594e28701586 100644
--- a/src/reader.cpp
+++ b/src/reader.cpp
@@ -12,10 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "reader.h"
-#include <cstring>
+
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/reader_native.cpp b/src/reader_native.cpp
index 9b93c7800000179a78b261f2a81a9cc14ba2f9ae..e0f0d7792b3d41b815d456c5050f762fc7387490 100644
--- a/src/reader_native.cpp
+++ b/src/reader_native.cpp
@@ -12,14 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "reader_native.h"
-#include <cstring>
-#include <cstdlib>
-#include "atom.h"
-#include "memory.h"
+
 #include "error.h"
-#include "utils.h"
+#include "memory.h"
 #include "tokenizer.h"
 
+#include <cstring>
+#include <utility>
+
 using namespace LAMMPS_NS;
 
 #define MAXLINE 1024        // max line length in dump file
diff --git a/src/reader_native.h b/src/reader_native.h
index 6456dc275ae3eb44e8e96b2c21bb74e8fb20fa92..d1c84330165260e229efcc1e54ab767e6a728a96 100644
--- a/src/reader_native.h
+++ b/src/reader_native.h
@@ -23,9 +23,8 @@ ReaderStyle(native,ReaderNative)
 #define LMP_READER_NATIVE_H
 
 #include "reader.h"
-#include <string>
+
 #include <map>
-#include <vector>
 
 namespace LAMMPS_NS {
 
diff --git a/src/reader_xyz.cpp b/src/reader_xyz.cpp
index ad8cb0cc6ea78f4f8ee90dc7ed3f839cffbdbeba..8a2f7a39891e077e723b771c843ab66844fd8cbe 100644
--- a/src/reader_xyz.cpp
+++ b/src/reader_xyz.cpp
@@ -16,10 +16,9 @@
 ------------------------------------------------------------------------- */
 
 #include "reader_xyz.h"
-#include <cstdlib>
+
 #include "memory.h"
 #include "error.h"
-#include "force.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region.cpp b/src/region.cpp
index 8a6ec3305aab77b979d036ce5439d9bec0de70c2..15b6fee27212768af60b6234440950f174c1ef50 100644
--- a/src/region.cpp
+++ b/src/region.cpp
@@ -12,16 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "region.h"
-#include <cmath>
-#include <cstring>
-#include "update.h"
+
 #include "domain.h"
-#include "lattice.h"
+#include "error.h"
 #include "input.h"
-#include "variable.h"
+#include "lattice.h"
 #include "math_extra.h"
-#include "error.h"
-#include "force.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_block.cpp b/src/region_block.cpp
index e06c05d1a714d0d9a32fe09f6108bc541b3619db..2204f2e6a474cc0dc378ab0631457f5a73ee04bd 100644
--- a/src/region_block.cpp
+++ b/src/region_block.cpp
@@ -12,11 +12,12 @@
 ------------------------------------------------------------------------- */
 
 #include "region_block.h"
-#include <cstring>
-#include "force.h"
+
 #include "domain.h"
-#include "math_extra.h"
 #include "error.h"
+#include "math_extra.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_cone.cpp b/src/region_cone.cpp
index 400fb072298d2d50b6b8cd1597a366f0b9c497f2..d669008e93e5f27b1fcdf384afb5567f4020e8bb 100644
--- a/src/region_cone.cpp
+++ b/src/region_cone.cpp
@@ -16,11 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "region_cone.h"
-#include <cmath>
-#include <cstring>
+
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_cylinder.cpp b/src/region_cylinder.cpp
index dc1584a96bc6e371a741b2e553db9a6768a4d636..f7676a3d7475781c8e9fb54c727f000d042d2b03 100644
--- a/src/region_cylinder.cpp
+++ b/src/region_cylinder.cpp
@@ -12,14 +12,15 @@
 ------------------------------------------------------------------------- */
 
 #include "region_cylinder.h"
-#include <cmath>
-#include <cstring>
-#include "update.h"
+
 #include "domain.h"
+#include "error.h"
 #include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_deprecated.cpp b/src/region_deprecated.cpp
index afbe9e4189c880edc48c07e4abb8f6ccae3d4307..137c167ab9a76832255307d6ccdefada3d663b3e 100644
--- a/src/region_deprecated.cpp
+++ b/src/region_deprecated.cpp
@@ -12,10 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "region_deprecated.h"
-#include <string>
+
 #include "comm.h"
 #include "error.h"
-#include "utils.h"
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_intersect.cpp b/src/region_intersect.cpp
index 4096657d3021026846400a2679f848475cf299d1..a61e2556b04480612b6b6045a7cfbbb044dcbc21 100644
--- a/src/region_intersect.cpp
+++ b/src/region_intersect.cpp
@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "region_intersect.h"
-#include <cstring>
+
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_plane.cpp b/src/region_plane.cpp
index bf12f3cd916acee2f0c1c22cd92d0f5439d64fdd..4895c1f081f5e0d26fcbc833eec0c90fb478c484 100644
--- a/src/region_plane.cpp
+++ b/src/region_plane.cpp
@@ -12,9 +12,10 @@
 ------------------------------------------------------------------------- */
 
 #include "region_plane.h"
-#include <cmath>
+
 #include "error.h"
-#include "force.h"
+
+#include <cmath>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_prism.cpp b/src/region_prism.cpp
index 5d7c5bce1fb6a6acc7c4aeffa1f623f9c22b3414..af270cc47f88067304d939374d4947c11e9e7588 100644
--- a/src/region_prism.cpp
+++ b/src/region_prism.cpp
@@ -16,11 +16,12 @@
 ------------------------------------------------------------------------- */
 
 #include "region_prism.h"
-#include <cstring>
+
 #include "domain.h"
-#include "force.h"
-#include "math_extra.h"
 #include "error.h"
+#include "math_extra.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_sphere.cpp b/src/region_sphere.cpp
index 44db951fded0da1f8c831bb3626a845e141362fc..4256af421381f7e557fc7642dce00430214a4a8f 100644
--- a/src/region_sphere.cpp
+++ b/src/region_sphere.cpp
@@ -12,13 +12,14 @@
 ------------------------------------------------------------------------- */
 
 #include "region_sphere.h"
-#include <cmath>
-#include <cstring>
-#include "update.h"
+
+#include "error.h"
 #include "input.h"
+#include "update.h"
 #include "variable.h"
-#include "error.h"
-#include "force.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/region_union.cpp b/src/region_union.cpp
index 30f563df2ca855314e3f60305ee698e86d67a63f..677f1022f92d3fb2e14450c9746864d473955558 100644
--- a/src/region_union.cpp
+++ b/src/region_union.cpp
@@ -12,10 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "region_union.h"
-#include <cstring>
+
 #include "domain.h"
 #include "error.h"
-#include "force.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/replicate.cpp b/src/replicate.cpp
index 9c915d08c019abe387ffb46e4e19a532d73fcb0a..374d7113b29490e3b9ebf2895d7b37cddc885b24 100644
--- a/src/replicate.cpp
+++ b/src/replicate.cpp
@@ -12,19 +12,17 @@
 ------------------------------------------------------------------------- */
 
 #include "replicate.h"
-#include <mpi.h>
-#include <cstring>
+
+#include "accelerator_kokkos.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "force.h"
-#include "domain.h"
 #include "comm.h"
-#include "special.h"
-#include "accelerator_kokkos.h"
-#include "memory.h"
+#include "domain.h"
 #include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "memory.h"
+#include "special.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/rerun.cpp b/src/rerun.cpp
index a63fd1ea55af86aed8cac012c52c677011425fea..51c0f6fdb25ac352602e8ad364972d17c59abe52 100644
--- a/src/rerun.cpp
+++ b/src/rerun.cpp
@@ -12,17 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "rerun.h"
-#include <cstring>
-#include "read_dump.h"
+
 #include "domain.h"
-#include "update.h"
+#include "error.h"
+#include "finish.h"
 #include "integrate.h"
 #include "modify.h"
 #include "output.h"
-#include "finish.h"
+#include "read_dump.h"
 #include "timer.h"
-#include "error.h"
-#include "force.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/reset_atom_ids.cpp b/src/reset_atom_ids.cpp
index 526de60cbab789a34ea07a8bc3ec4789e8968076..0b7cf9879f82ceca5867ef619905c5d7d668dfa2 100644
--- a/src/reset_atom_ids.cpp
+++ b/src/reset_atom_ids.cpp
@@ -12,19 +12,19 @@
 ------------------------------------------------------------------------- */
 
 #include "reset_atom_ids.h"
-#include <mpi.h>
-#include <cstring>
+
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
 #include "comm.h"
-#include "modify.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
-#include "special.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "special.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/reset_mol_ids.cpp b/src/reset_mol_ids.cpp
index a6cfb69185897aaabc0d270f8eb5a37e71158a37..ad2caad6568230854227ea0755d015702ea0c24b 100644
--- a/src/reset_mol_ids.cpp
+++ b/src/reset_mol_ids.cpp
@@ -16,17 +16,17 @@
 ------------------------------------------------------------------------- */
 
 #include "reset_mol_ids.h"
-#include <mpi.h>
+
 #include "atom.h"
-#include "domain.h"
 #include "comm.h"
-#include "group.h"
-#include "modify.h"
-#include "compute_fragment_atom.h"
 #include "compute_chunk_atom.h"
-#include "utils.h"
+#include "compute_fragment_atom.h"
+#include "domain.h"
 #include "error.h"
-#include "fmt/format.h"
+#include "group.h"
+#include "modify.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/reset_mol_ids.h b/src/reset_mol_ids.h
index 9d2dd24bc8c176945f960a3911df295bb435c77c..fbb6fceb03bc32dcc2649ab068fec015e234df43 100644
--- a/src/reset_mol_ids.h
+++ b/src/reset_mol_ids.h
@@ -21,7 +21,6 @@ CommandStyle(reset_mol_ids,ResetMolIDs)
 #define LMP_RESET_MOL_IDS_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/respa.cpp b/src/respa.cpp
index 1dcc4b898af60d7c7a9f4f9fdf199dedaef40e4a..c970c63a19e8fd3d8a0124fa7fc565b3d89abfd1 100644
--- a/src/respa.cpp
+++ b/src/respa.cpp
@@ -16,30 +16,29 @@
 ------------------------------------------------------------------------- */
 
 #include "respa.h"
-#include <cstring>
-#include <string>
-#include "neighbor.h"
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "domain.h"
+#include "bond.h"
 #include "comm.h"
+#include "dihedral.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
+#include "fix_respa.h"
 #include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
 #include "improper.h"
 #include "kspace.h"
-#include "output.h"
-#include "update.h"
 #include "modify.h"
-#include "fix_respa.h"
-#include "timer.h"
-#include "error.h"
-#include "utils.h"
+#include "neighbor.h"
+#include "output.h"
+#include "pair.h"
 #include "pair_hybrid.h"
-#include "fmt/format.h"
+#include "timer.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/run.cpp b/src/run.cpp
index 91e2db5c6b8fbb1e49b92f09d798616c8dced5b7..166955d6acca198ac1593046e846f8374713de1c 100644
--- a/src/run.cpp
+++ b/src/run.cpp
@@ -12,17 +12,18 @@
 ------------------------------------------------------------------------- */
 
 #include "run.h"
-#include <cstring>
+
 #include "domain.h"
-#include "update.h"
-#include "force.h"
+#include "error.h"
+#include "finish.h"
+#include "input.h"
 #include "integrate.h"
 #include "modify.h"
 #include "output.h"
-#include "finish.h"
-#include "input.h"
 #include "timer.h"
-#include "error.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/set.cpp b/src/set.cpp
index b4a82e5c72f7365292dc389469c7eb92ea2a973e..3b2cd44ad08b4c760bf6a82140d8040046f5a86f 100644
--- a/src/set.cpp
+++ b/src/set.cpp
@@ -12,32 +12,30 @@
 ------------------------------------------------------------------------- */
 
 #include "set.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
-#include <climits>
+
 #include "atom.h"
 #include "atom_vec.h"
+#include "atom_vec_body.h"
 #include "atom_vec_ellipsoid.h"
 #include "atom_vec_line.h"
 #include "atom_vec_tri.h"
-#include "atom_vec_body.h"
-#include "domain.h"
-#include "region.h"
-#include "group.h"
 #include "comm.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
+#include "group.h"
 #include "input.h"
-#include "variable.h"
-#include "random_park.h"
-#include "random_mars.h"
-#include "math_extra.h"
 #include "math_const.h"
+#include "math_extra.h"
 #include "memory.h"
-#include "error.h"
 #include "modify.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "random_mars.h"
+#include "random_park.h"
+#include "region.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/special.cpp b/src/special.cpp
index 3780fab5c0887e515af1312acde7a10883fa28da..eb74f534f7d679434507b35e12d39f97264b8df7 100644
--- a/src/special.cpp
+++ b/src/special.cpp
@@ -12,18 +12,16 @@
 ------------------------------------------------------------------------- */
 
 #include "special.h"
-#include <mpi.h>
+
+#include "accelerator_kokkos.h"  // IWYU pragma: export
 #include "atom.h"
+#include "atom_masks.h"
 #include "atom_vec.h"
-#include "force.h"
 #include "comm.h"
-#include "modify.h"
 #include "fix.h"
-#include "accelerator_kokkos.h"  // IWYU pragma: export
-#include "atom_masks.h"
+#include "force.h"
 #include "memory.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/table_file_reader.cpp b/src/table_file_reader.cpp
index 525db2496132ab590cdd98f87010b3cf31e4ee24..50843c119eef96b68744218c1a76ec118f417db8 100644
--- a/src/table_file_reader.cpp
+++ b/src/table_file_reader.cpp
@@ -15,14 +15,10 @@
    Contributing authors: Richard Berger (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "lammps.h"
-#include "error.h"
 #include "table_file_reader.h"
-#include "utils.h"
-#include "tokenizer.h"
-#include "fmt/format.h"
 
-#include <cstring>
+#include "text_file_reader.h"
+#include "tokenizer.h"
 
 using namespace LAMMPS_NS;
 
diff --git a/src/text_file_reader.cpp b/src/text_file_reader.cpp
index 1e1e5e2ec19f8f8cf17908831f42916e6214b51b..3c63bba5fb0da358923a664d57e276ad7b2aa67c 100644
--- a/src/text_file_reader.cpp
+++ b/src/text_file_reader.cpp
@@ -15,14 +15,11 @@
    Contributing authors: Richard Berger (Temple U)
 ------------------------------------------------------------------------- */
 
-#include "lammps.h"
-#include "force.h"
-#include "error.h"
-#include "comm.h"
-#include "utils.h"
 #include "text_file_reader.h"
-#include "tokenizer.h"
+
 #include "fmt/format.h"
+#include "tokenizer.h"
+#include "utils.h"
 
 #include <cstring>
 
diff --git a/src/text_file_reader.h b/src/text_file_reader.h
index b64407701f8ae02c692d0b0c5093acdb0e75649c..65af0a08d9b4ac86c58fd058ff5ee4596b8929a8 100644
--- a/src/text_file_reader.h
+++ b/src/text_file_reader.h
@@ -18,11 +18,10 @@
 #ifndef LMP_TEXT_FILE_READER_H
 #define LMP_TEXT_FILE_READER_H
 
-#include <cstdio>
-#include <string>
-#include <exception>
 #include "tokenizer.h"
 
+#include <cstdio>
+
 namespace LAMMPS_NS
 {
   class TextFileReader {
diff --git a/src/thermo.cpp b/src/thermo.cpp
index 96de72b4ab26248f1dc634b07ee105ac25b79a02..787b0cdda843961025a62a932d3b00e46b3286e0 100644
--- a/src/thermo.cpp
+++ b/src/thermo.cpp
@@ -16,37 +16,36 @@
 //   before lmptype.h can set flags to insure it is done correctly
 
 #include "thermo.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstring>
+
+#include "angle.h"
 #include "atom.h"
-#include "update.h"
+#include "bond.h"
 #include "comm.h"
+#include "compute.h"
+#include "dihedral.h"
 #include "domain.h"
-#include "universe.h"
-#include "lattice.h"
-#include "group.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "compute.h"
-#include "input.h"
-#include "variable.h"
-#include "neighbor.h"
 #include "force.h"
-#include "pair.h"
-#include "bond.h"
-#include "angle.h"
-#include "dihedral.h"
+#include "group.h"
 #include "improper.h"
+#include "input.h"
 #include "kspace.h"
+#include "lattice.h"
+#include "math_const.h"
+#include "memory.h"
+#include "modify.h"
+#include "neighbor.h"
 #include "output.h"
+#include "pair.h"
 #include "timer.h"
-#include "memory.h"
-#include "error.h"
-#include "math_const.h"
-#include "utils.h"
-#include "fmt/format.h"
 #include "tokenizer.h"
+#include "universe.h"
+#include "update.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/timer.cpp b/src/timer.cpp
index b9124978a9a2275f950c7f1188a98f7c43c828ca..adf143b4ae38d5d9fbdc4d150ae74667a2833d8f 100644
--- a/src/timer.cpp
+++ b/src/timer.cpp
@@ -12,13 +12,11 @@
 ------------------------------------------------------------------------- */
 
 #include "timer.h"
-#include <mpi.h>
-#include <cstring>
-#include <cstdlib>
+
 #include "comm.h"
 #include "error.h"
-#include "force.h"
-#include "utils.h"
+
+#include <cstring>
 
 #ifdef _WIN32
 #include <windows.h>
diff --git a/src/tokenizer.cpp b/src/tokenizer.cpp
index eadff698cbbe86df8c8b1c89e50b1bca3ee3be8e..3b172181a2073c607cf07a3293d7c7f6b9f95d35 100644
--- a/src/tokenizer.cpp
+++ b/src/tokenizer.cpp
@@ -17,9 +17,11 @@
 
 #include "tokenizer.h"
 #include "utils.h"
-#include <algorithm>
 #include "fmt/format.h"
 
+#include <exception>
+#include <utility>
+
 using namespace LAMMPS_NS;
 
 TokenizerException::TokenizerException(const std::string & msg, const std::string & token){
diff --git a/src/tokenizer.h b/src/tokenizer.h
index eb19c4421b7c180ca9a050e5dcf564868b9b6e18..2db9870866e091389d09c9d51fe504fe45a43cd1 100644
--- a/src/tokenizer.h
+++ b/src/tokenizer.h
@@ -18,10 +18,11 @@
 #ifndef LMP_TOKENIZER_H
 #define LMP_TOKENIZER_H
 
-#include <string>
-#include <vector>
 #include "lmptype.h"
-#include <exception>
+
+#include <exception>  // IWYU pragma: export
+#include <string>     // IWYU pragma: export
+#include <vector>     // IWYU pragma: export
 
 namespace LAMMPS_NS {
 
diff --git a/src/universe.cpp b/src/universe.cpp
index e920270c1ead62dbae463f913fc6d5888fd9663b..838313665e2c94be73356521df2e0b301856bf67 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -12,16 +12,13 @@
 ------------------------------------------------------------------------- */
 
 #include "universe.h"
-#include <mpi.h>
-#include <cctype>
-#include <cstdlib>
-#include <cstring>
-#include "version.h"
+
 #include "error.h"
-#include "force.h"
 #include "memory.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "version.h"
+
+#include <cctype>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/update.cpp b/src/update.cpp
index a1c712c35474add7c39bfbed2af08e451d576051..399584473c980e65f875199a12ebfa97b011184d 100644
--- a/src/update.cpp
+++ b/src/update.cpp
@@ -15,8 +15,8 @@
 #include <cstring>
 #include "integrate.h"
 #include "min.h"
-#include "style_integrate.h"
-#include "style_minimize.h"
+#include "style_integrate.h"  // IWYU pragma: keep
+#include "style_minimize.h"   // IWYU pragma: keep
 #include "neighbor.h"
 #include "force.h"
 #include "modify.h"
@@ -61,7 +61,7 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
 #define INTEGRATE_CLASS
 #define IntegrateStyle(key,Class) \
   (*integrate_map)[#key] = &integrate_creator<Class>;
-#include "style_integrate.h"
+#include "style_integrate.h"   // IWYU pragma: keep
 #undef IntegrateStyle
 #undef INTEGRATE_CLASS
 
@@ -70,7 +70,7 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
 #define MINIMIZE_CLASS
 #define MinimizeStyle(key,Class) \
   (*minimize_map)[#key] = &minimize_creator<Class>;
-#include "style_minimize.h"
+#include "style_minimize.h"    // IWYU pragma: keep
 #undef MinimizeStyle
 #undef MINIMIZE_CLASS
 
diff --git a/src/update.h b/src/update.h
index e70325a4984b3e62f6df0bfa247b364533136a7b..558719f4ccadaadf7a64d893dd3787bd56a70fd0 100644
--- a/src/update.h
+++ b/src/update.h
@@ -15,8 +15,8 @@
 #define LMP_UPDATE_H
 
 #include "pointers.h"
+
 #include <map>
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/utils.cpp b/src/utils.cpp
index 45bd629c19d61f7a764d1225dadeb2f7168f31c0..c3a6d1e48093b775e3e9dc343bb8ad1c856200d6 100644
--- a/src/utils.cpp
+++ b/src/utils.cpp
@@ -12,20 +12,20 @@
 ------------------------------------------------------------------------- */
 
 #include "utils.h"
-#include <cstring>
-#include <cstdlib>
-#include <cerrno>
-#include "lammps.h"
+
 #include "comm.h"
 #include "compute.h"
 #include "error.h"
 #include "fix.h"
 #include "memory.h"
 #include "modify.h"
-#include "tokenizer.h"
 #include "text_file_reader.h"
+#include "tokenizer.h"
 #include "update.h"
-#include "fmt/format.h"
+
+#include <cctype>
+#include <cerrno>
+#include <cstring>
 
 #if defined(__linux__)
 #include <unistd.h>  // for readlink
diff --git a/src/variable.cpp b/src/variable.cpp
index d16987984f5264f6aef3a0805d1e241e3c413377..8d4416dfa71d98631e9b827505068fe7e8a5731a 100644
--- a/src/variable.cpp
+++ b/src/variable.cpp
@@ -12,36 +12,33 @@
 ------------------------------------------------------------------------- */
 
 #include "variable.h"
-#include <mpi.h>
-#include <cmath>
-#include <cstdlib>
-#include <cstring>
-#include <cctype>
-#include <unistd.h>
-#include <string>
-#include "universe.h"
+
 #include "atom.h"
-#include "update.h"
-#include "group.h"
-#include "domain.h"
 #include "comm.h"
-#include "region.h"
-#include "modify.h"
 #include "compute.h"
-#include "input.h"
+#include "domain.h"
+#include "error.h"
 #include "fix.h"
 #include "fix_store.h"
-#include "force.h"
-#include "output.h"
-#include "thermo.h"
-#include "random_mars.h"
-#include "math_const.h"
+#include "group.h"
+#include "info.h"
+#include "input.h"
 #include "lmppython.h"
+#include "math_const.h"
 #include "memory.h"
-#include "info.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "modify.h"
+#include "output.h"
+#include "random_mars.h"
+#include "region.h"
+#include "thermo.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cctype>
+#include <cmath>
+#include <cstring>
+#include <unistd.h>
+#include <vector>
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
diff --git a/src/variable.h b/src/variable.h
index f5ea11c0b4ba22de847e05fcd44ef2f21ac34fc4..efffacc7bba4cf2a7132ef7e8ca2f8319e0ecd32 100644
--- a/src/variable.h
+++ b/src/variable.h
@@ -15,7 +15,6 @@
 #define LMP_VARIABLE_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/velocity.cpp b/src/velocity.cpp
index 140a3969261c167495780e8e61670dd230231f63..eafa98cb7cbfa7c17d8b03bf9f8db6c46bfb0944 100644
--- a/src/velocity.cpp
+++ b/src/velocity.cpp
@@ -12,24 +12,24 @@
 ------------------------------------------------------------------------- */
 
 #include "velocity.h"
-#include <cmath>
-#include <cstring>
+
 #include "atom.h"
-#include "domain.h"
-#include "lattice.h"
-#include "input.h"
-#include "variable.h"
-#include "force.h"
-#include "modify.h"
-#include "fix.h"
+#include "comm.h"
 #include "compute.h"
 #include "compute_temp.h"
-#include "random_park.h"
+#include "domain.h"
+#include "error.h"
+#include "fix.h"
 #include "group.h"
-#include "comm.h"
+#include "input.h"
+#include "lattice.h"
 #include "memory.h"
-#include "error.h"
-#include "utils.h"
+#include "modify.h"
+#include "random_park.h"
+#include "variable.h"
+
+#include <cmath>
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/verlet.cpp b/src/verlet.cpp
index 97c5f918b5f8a5dd66a6df6d1cfbfa4d49c0f7b3..a7b9ba4c225bab923ac7c472516031c11dbaa408 100644
--- a/src/verlet.cpp
+++ b/src/verlet.cpp
@@ -12,26 +12,26 @@
 ------------------------------------------------------------------------- */
 
 #include "verlet.h"
-#include <cstring>
-#include <string>
-#include "neighbor.h"
-#include "domain.h"
-#include "comm.h"
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "force.h"
 #include "improper.h"
 #include "kspace.h"
-#include "output.h"
-#include "update.h"
 #include "modify.h"
+#include "neighbor.h"
+#include "output.h"
+#include "pair.h"
 #include "timer.h"
-#include "error.h"
-#include "fmt/format.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/write_coeff.cpp b/src/write_coeff.cpp
index 612f5bb123e54ac3d00d81d94b89b52121152615..121a2ed1fda68f95a05d4da70347811a6f247330 100644
--- a/src/write_coeff.cpp
+++ b/src/write_coeff.cpp
@@ -12,22 +12,21 @@
 ------------------------------------------------------------------------- */
 
 #include "write_coeff.h"
-#include <cstring>
-#include <cstdlib>
-#include <cctype>
-#include <unistd.h>
-#include "pair.h"
-#include "bond.h"
+
 #include "angle.h"
-#include "dihedral.h"
-#include "improper.h"
+#include "bond.h"
 #include "comm.h"
+#include "dihedral.h"
+#include "domain.h"
+#include "error.h"
 #include "force.h"
+#include "improper.h"
+#include "pair.h"
 #include "universe.h"
-#include "error.h"
-#include "domain.h"
-#include "utils.h"
-#include "fmt/format.h"
+
+#include <cctype>
+#include <cstring>
+#include <unistd.h>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/write_data.cpp b/src/write_data.cpp
index d549d8bf774386acdfaa072dde12aa7dc6ab72ad..53d277b72367d98e56b2bb7d745558d8b700347e 100644
--- a/src/write_data.cpp
+++ b/src/write_data.cpp
@@ -12,29 +12,27 @@
 ------------------------------------------------------------------------- */
 
 #include "write_data.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
+#include "domain.h"
+#include "error.h"
+#include "fix.h"
+#include "force.h"
 #include "improper.h"
-#include "update.h"
+#include "memory.h"
 #include "modify.h"
-#include "fix.h"
-#include "domain.h"
-#include "universe.h"
-#include "comm.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cstring>
 
 using namespace LAMMPS_NS;
 
diff --git a/src/write_data.h b/src/write_data.h
index e94e7f559532a2203af70176da7a1e7ed98bc698..a4e71c9cda2f1ce6c2ee5e88ec96ec241dda7225 100644
--- a/src/write_data.h
+++ b/src/write_data.h
@@ -21,7 +21,6 @@ CommandStyle(write_data,WriteData)
 #define LMP_WRITE_DATA_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/src/write_dump.cpp b/src/write_dump.cpp
index 9b257b9ab06e9f0d7bd0b5a0485ab9baac3e0aba..56839a2f5e47ffcd96b55d05e5f669aa8f956219 100644
--- a/src/write_dump.cpp
+++ b/src/write_dump.cpp
@@ -16,15 +16,16 @@
 ------------------------------------------------------------------------- */
 
 #include "write_dump.h"
-#include <cstring>
-#include <string>
 #include "style_dump.h"
+
+#include "comm.h"
 #include "dump.h"
 #include "dump_image.h"
-#include "comm.h"
-#include "update.h"
 #include "error.h"
-#include "utils.h"
+#include "update.h"
+
+#include <cstring>
+
 
 using namespace LAMMPS_NS;
 
diff --git a/src/write_restart.cpp b/src/write_restart.cpp
index 22e993c37c86273a3df16407dcf014de3b249d34..256d7a377ee5b1c7668501efb39bc682bcd301c6 100644
--- a/src/write_restart.cpp
+++ b/src/write_restart.cpp
@@ -12,32 +12,30 @@
 ------------------------------------------------------------------------- */
 
 #include "write_restart.h"
-#include <mpi.h>
-#include <cstring>
-#include <string>
+
+#include "angle.h"
 #include "atom.h"
 #include "atom_vec.h"
-#include "group.h"
-#include "force.h"
-#include "pair.h"
 #include "bond.h"
-#include "angle.h"
+#include "comm.h"
 #include "dihedral.h"
-#include "improper.h"
-#include "update.h"
-#include "neighbor.h"
 #include "domain.h"
-#include "modify.h"
+#include "error.h"
 #include "fix.h"
-#include "universe.h"
-#include "comm.h"
+#include "force.h"
+#include "group.h"
+#include "improper.h"
+#include "memory.h"
+#include "modify.h"
+#include "mpiio.h"
+#include "neighbor.h"
 #include "output.h"
+#include "pair.h"
 #include "thermo.h"
-#include "mpiio.h"
-#include "memory.h"
-#include "error.h"
-#include "utils.h"
-#include "fmt/format.h"
+#include "universe.h"
+#include "update.h"
+
+#include <cstring>
 
 #include "lmprestart.h"
 
diff --git a/src/write_restart.h b/src/write_restart.h
index 5056f50636b23bc33b58b27ef76df0300897ecde..a4a606482e37dc1d35c83a7ae1195f0b4a9e2baf 100644
--- a/src/write_restart.h
+++ b/src/write_restart.h
@@ -21,7 +21,6 @@ CommandStyle(write_restart,WriteRestart)
 #define LMP_WRITE_RESTART_H
 
 #include "pointers.h"
-#include <string>
 
 namespace LAMMPS_NS {
 
diff --git a/tools/msi2lmp/src/WriteDataFile.c b/tools/msi2lmp/src/WriteDataFile.c
index c03eba71c5f2b52f7e54b53c45bb8e9b2cdd985a..a6f1615809ac2c2988a30d9740854850512ef928 100644
--- a/tools/msi2lmp/src/WriteDataFile.c
+++ b/tools/msi2lmp/src/WriteDataFile.c
@@ -3,7 +3,6 @@
 */
 
 #include "msi2lmp.h"
-#include "Forcefield.h"
 
 #include <stdlib.h>
 
diff --git a/tools/msi2lmp/src/msi2lmp.c b/tools/msi2lmp/src/msi2lmp.c
index efc929639a937da885526107e02d3aa2484093ae..b5e9a96293464bb192cd21e98b52c7af3df1af56 100644
--- a/tools/msi2lmp/src/msi2lmp.c
+++ b/tools/msi2lmp/src/msi2lmp.c
@@ -151,7 +151,6 @@
 
 #include <stdlib.h>
 #include <string.h>
-#include <ctype.h>
 
 /* global variables */
 
diff --git a/tools/msi2lmp/src/msi2lmp.h b/tools/msi2lmp/src/msi2lmp.h
index c9b198444443950699af5851adccce89ec8e4338..af7978d181d6ce5743b40f88dcda9e0c2a5dbc90 100644
--- a/tools/msi2lmp/src/msi2lmp.h
+++ b/tools/msi2lmp/src/msi2lmp.h
@@ -34,7 +34,7 @@
 * compatibility with the obsolete LAMMPS version written in Fortran 90.
 */
 
-# include <stdio.h>
+#include <stdio.h>              /* IWYU pragma: export */
 
 #define MSI2LMP_VERSION "v3.9.9 / 05 Nov 2018"
 
diff --git a/unittest/formats/test_atom_styles.cpp b/unittest/formats/test_atom_styles.cpp
index a409f3547c015ba034e4bcc336ce0debac2268b6..80ee3926c85dab7869d6e7756e4df5985af8e209 100644
--- a/unittest/formats/test_atom_styles.cpp
+++ b/unittest/formats/test_atom_styles.cpp
@@ -28,6 +28,7 @@
 #include <cmath>
 #include <cstdio>
 #include <cstring>
+#include <vector>
 #include <mpi.h>
 
 #if !defined(_FORTIFY_SOURCE) || (_FORTIFY_SOURCE == 0)
diff --git a/unittest/formats/test_pair_unit_convert.cpp b/unittest/formats/test_pair_unit_convert.cpp
index 6c4b38397d83252d4f4e813dc5ebbac855a31373..8571c7b4423086c5cc142ea3faa24168d8676637 100644
--- a/unittest/formats/test_pair_unit_convert.cpp
+++ b/unittest/formats/test_pair_unit_convert.cpp
@@ -15,17 +15,15 @@
 #include "force.h"
 #include "info.h"
 #include "input.h"
-#include "lammps.h"
 #include "output.h"
 #include "pair.h"
 #include "thermo.h"
-#include "utils.h"
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
 
-#include <cstdio>
+#include <cmath>
 #include <cstring>
-#include <mpi.h>
+#include <vector>
 
 // whether to print verbose output (i.e. not capturing LAMMPS screen output).
 bool verbose = false;
diff --git a/unittest/formats/test_potential_file_reader.cpp b/unittest/formats/test_potential_file_reader.cpp
index f5b298874f00b1a1c4890add7beb4288237fbaef..aaa52b11423d4847e975295e536005b5d271058f 100644
--- a/unittest/formats/test_potential_file_reader.cpp
+++ b/unittest/formats/test_potential_file_reader.cpp
@@ -13,7 +13,6 @@
 
 #include "MANYBODY/pair_comb.h"
 #include "MANYBODY/pair_comb3.h"
-#include "MANYBODY/pair_eim.h"
 #include "MANYBODY/pair_gw.h"
 #include "MANYBODY/pair_gw_zbl.h"
 #include "MANYBODY/pair_nb3b_harmonic.h"
@@ -26,13 +25,13 @@
 #include "USER-MISC/pair_tersoff_table.h"
 #include "info.h"
 #include "input.h"
-#include "lammps.h"
 #include "potential_file_reader.h"
-#include "utils.h"
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
 
 #include <cstring>
+#include <iostream>
+#include <vector>
 #include <mpi.h>
 
 #if defined(OMPI_MAJOR_VERSION)
diff --git a/unittest/utils/test_fmtlib.cpp b/unittest/utils/test_fmtlib.cpp
index fd9a4a06a2240261e1b5e1bc459edd4833eb4118..7233d0ab1a615e8464358ae3842d7582994b8e50 100644
--- a/unittest/utils/test_fmtlib.cpp
+++ b/unittest/utils/test_fmtlib.cpp
@@ -16,7 +16,6 @@
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
 #include <exception>
-#include <string>
 
 using namespace LAMMPS_NS;
 using ::testing::Eq;
diff --git a/unittest/utils/test_tokenizer.cpp b/unittest/utils/test_tokenizer.cpp
index 7cef3cead0aa07c4726d3442ea03e60ae4cd622f..28656ef9c8c6071e65743c9f90d95d1f5558a486 100644
--- a/unittest/utils/test_tokenizer.cpp
+++ b/unittest/utils/test_tokenizer.cpp
@@ -11,6 +11,7 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "tokenizer.h"
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
diff --git a/unittest/utils/test_utils.cpp b/unittest/utils/test_utils.cpp
index 1a3ca9fa0c5b3c91cbedf8bbbd40442ad65eb27b..a78830c9d1338ec35f12bd71fad1c9da1771bccf 100644
--- a/unittest/utils/test_utils.cpp
+++ b/unittest/utils/test_utils.cpp
@@ -11,12 +11,12 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+#include "lmptype.h"
 #include "utils.h"
 #include "gmock/gmock.h"
 #include "gtest/gtest.h"
 #include <cerrno>
 #include <cstdio>
-#include <cstdlib>
 #include <string>
 #include <vector>