Commit adbc64b4 authored by mkanski's avatar mkanski
Browse files

Cleaning includes + changing error->all to error->one

parent eedc88eb

src/USER-OMP/reaxc_forces_omp.cpp

+2 −2
Original line number Diff line number Diff line
@@ -292,7 +292,7 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list 
        char errmsg[256];

        snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",

                  step, i, End_Index(i,bonds), comp );

        system->error_ptr->all(FLERR,errmsg);

        system->error_ptr->one(FLERR,errmsg);

      }

    }

  }
@@ -319,7 +319,7 @@ void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list 
          char errmsg[256];

          snprintf(errmsg, 256, "step%d-hbondchk failed: H=%d end(H)=%d str(H+1)=%d\n",

                  step, Hindex, End_Index(Hindex,hbonds), comp );

          system->error_ptr->all(FLERR, errmsg);

          system->error_ptr->one(FLERR, errmsg);

        }

      }

    }

src/USER-REAXC/reaxc_allocate.cpp

+0 −2
Original line number Diff line number Diff line
@@ -35,9 +35,7 @@ 
#include <omp.h>

#endif



#include "lammps.h"

#include "error.h"

using namespace LAMMPS_NS;



/* allocate space for my_atoms

   important: we cannot know the exact number of atoms that will fall into a

src/USER-REAXC/reaxc_control.cpp

+2 −0
Original line number Diff line number Diff line
@@ -28,6 +28,8 @@ 
#include "reaxc_control.h"

#include "reaxc_tool_box.h"



#include "error.h"



char Read_Control_File( char *control_file, control_params* control,

                        output_controls *out_control )

{

src/USER-REAXC/reaxc_ffield.cpp

+0 −2
Original line number Diff line number Diff line
@@ -29,8 +29,6 @@ 
#include "reaxc_ffield.h"

#include "reaxc_tool_box.h"



#include "lammps.h"

#include "error.h"



char Read_Force_Field( FILE *fp, reax_interaction *reax,

                       control_params *control )

src/USER-REAXC/reaxc_forces.cpp

+3 −1
Original line number Diff line number Diff line
@@ -39,6 +39,8 @@ 
#include "reaxc_valence_angles.h"

#include "reaxc_vector.h"



#include "error.h"





interaction_function Interaction_Functions[NUM_INTRS];
@@ -138,7 +140,7 @@ void Validate_Lists( reax_system *system, storage * /*workspace*/, reax_list **l 
        char errmsg[256];

        snprintf(errmsg, 256, "step%d-bondchk failed: i=%d end(i)=%d str(i+1)=%d\n",

                 step, i, End_Index(i,bonds), comp );

        system->error_ptr->all(FLERR,errmsg);

        system->error_ptr->one(FLERR,errmsg);

      }

    }

  }

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