make more use of std::string and fmtlib where beneficial (3c78ad0a) · Commits · 郑智淋 / lammps

src/atom_vec_hybrid.cpp

+4 −6

Original line number	Diff line number	Diff line
		@@ -18,6 +18,7 @@
		#include "memory.h"
		#include "error.h"
		#include "tokenizer.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;

		@@ -215,12 +216,9 @@ void AtomVecHybrid::process_args(int narg, char **arg)
		for (int idup = 0; idup < ndupfield; idup++) {
		char dup = (char ) dupfield[idup];
		ptr = strstr(concat_grow,dup);
		if (ptr && strstr(ptr+1,dup)) {
		char str[128];
		sprintf(str,"Peratom %s is in multiple sub-styles - "
		"must be used consistently",dup);
		if (comm->me == 0) error->warning(FLERR,str);
		}
		if ((ptr && strstr(ptr+1,dup)) && (comm->me == 0))
		error->warning(FLERR,fmt::format("Peratom {} is in multiple sub-styles "
		"- must be used consistently",dup));
		}

		delete [] concat_grow;

+7 −10

Original line number	Diff line number	Diff line
		@@ -30,6 +30,7 @@
		#include "comm.h"
		#include "memory.h"
		#include "error.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;

		@@ -184,11 +185,9 @@ void ComputeCNAAtom::compute_peratom()

		int nerrorall;
		MPI_Allreduce(&nerror,&nerrorall,1,MPI_INT,MPI_SUM,world);
		if (nerrorall && comm->me == 0) {
		char str[128];
		sprintf(str,"Too many neighbors in CNA for %d atoms",nerrorall);
		error->warning(FLERR,str,0);
		}
		if (nerrorall && comm->me == 0)
		error->warning(FLERR,fmt::format("Too many neighbors in CNA for {} "
		"atoms",nerrorall),0);

		// compute CNA for each atom in group
		// only performed if # of nearest neighbors = 12 or 14 (fcc,hcp)
		@@ -345,11 +344,9 @@ void ComputeCNAAtom::compute_peratom()
		// warning message

		MPI_Allreduce(&nerror,&nerrorall,1,MPI_INT,MPI_SUM,world);
		if (nerrorall && comm->me == 0) {
		char str[128];
		sprintf(str,"Too many common neighbors in CNA %d times",nerrorall);
		error->warning(FLERR,str);
		}
		if (nerrorall && comm->me == 0)
		error->warning(FLERR,fmt::format("Too many common neighbors in CNA {} "
		"times", nerrorall));
		}

		/* ----------------------------------------------------------------------

+3 −6

Original line number	Diff line number	Diff line
		@@ -147,12 +147,9 @@ void ComputeGroupGroup::init()

		if (kspaceflag) {
		kspace_correction();
		if (fabs(e_correction) > SMALL && comm->me == 0) {
		char str[128];
		sprintf(str,"Both groups in compute group/group have a net charge; "
		if ((fabs(e_correction) > SMALL) && (comm->me == 0))
		error->warning(FLERR,"Both groups in compute group/group have a net charge; "
		"the Kspace boundary correction to energy will be non-zero");
		error->warning(FLERR,str);
		}
		}

		// recheck that group 2 has not been deleted

+3 −5

Original line number	Diff line number	Diff line
		@@ -32,6 +32,7 @@
		#include "memory.h"
		#include "error.h"
		#include "math_const.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;
		using namespace MathConst;
		@@ -715,11 +716,8 @@ void ComputeOrientOrderAtom::init_clebsch_gordan()

		double ComputeOrientOrderAtom::factorial(int n)
		{
		if (n < 0 \|\| n > nmaxfactorial) {
		char str[128];
		sprintf(str, "Invalid argument to factorial %d", n);
		error->all(FLERR, str);
		}
		if (n < 0 \|\| n > nmaxfactorial)
		error->all(FLERR,fmt::format("Invalid argument to factorial {}", n));

		return nfac_table[n];
		}

+4 −5

Original line number	Diff line number	Diff line
		@@ -20,6 +20,7 @@
		#include "comm.h"
		#include "force.h"
		#include "error.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;

		@@ -58,11 +59,9 @@ void DumpMovie::openfile()
		fp = popen(moviecmd,"w");
		#endif

		if (fp == NULL) {
		char str[128];
		sprintf(str,"Failed to open FFmpeg pipeline to file %s",filename);
		error->one(FLERR,str);
		}
		if (fp == NULL)
		error->one(FLERR,fmt::format("Failed to open FFmpeg pipeline to "
		"file {}",filename));
		}
		}
		/* ---------------------------------------------------------------------- */