Replace Atom::count_words with utils::count_words (4a2d3e95) · Commits · 郑智淋 / lammps

src/GPU/pair_eam_alloy_gpu.cpp

+1 −1

Changes for src/GPU/pair_eam_alloy_gpu.cpp: 1 added line, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -399,7 +399,7 @@ void PairEAMAlloyGPU::read_file(char *filename)
		MPI_Bcast(line,n,MPI_CHAR,0,world);

		sscanf(line,"%d",&file->nelements);
		int nwords = atom->count_words(line);
		int nwords = utils::count_words(line);
		if (nwords != file->nelements + 1)
		error->all(FLERR,"Incorrect element names in EAM potential file");

+2 −1

Changes for src/GPU/pair_eam_fs_gpu.cpp: 2 added lines, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -30,6 +30,7 @@
		#include "gpu_extra.h"
		#include "domain.h"
		#include "suffix.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

		@@ -398,7 +399,7 @@ void PairEAMFSGPU::read_file(char *filename)
		MPI_Bcast(line,n,MPI_CHAR,0,world);

		sscanf(line,"%d",&file->nelements);
		int nwords = atom->count_words(line);
		int nwords = utils::count_words(line);
		if (nwords != file->nelements + 1)
		error->all(FLERR,"Incorrect element names in EAM potential file");

+2 −1

Changes for src/KOKKOS/pair_eam_alloy_kokkos.cpp: 2 added lines, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -29,6 +29,7 @@
		#include "memory_kokkos.h"
		#include "error.h"
		#include "atom_masks.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

		@@ -1012,7 +1013,7 @@ void PairEAMAlloyKokkos<DeviceType>::read_file(char *filename)
		MPI_Bcast(line,n,MPI_CHAR,0,world);

		sscanf(line,"%d",&file->nelements);
		int nwords = atom->count_words(line);
		int nwords = utils::count_words(line);
		if (nwords != file->nelements + 1)
		error->all(FLERR,"Incorrect element names in EAM potential file");

+2 −1

Changes for src/KOKKOS/pair_eam_fs_kokkos.cpp: 2 added lines, 1 removed line.
Original line number	Diff line number	Diff line
		@@ -29,6 +29,7 @@
		#include "memory_kokkos.h"
		#include "error.h"
		#include "atom_masks.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

		@@ -1012,7 +1013,7 @@ void PairEAMFSKokkos<DeviceType>::read_file(char *filename)
		MPI_Bcast(line,n,MPI_CHAR,0,world);

		sscanf(line,"%d",&file->nelements);
		int nwords = atom->count_words(line);
		int nwords = utils::count_words(line);
		if (nwords != file->nelements + 1)
		error->all(FLERR,"Incorrect element names in EAM potential file");

+3 −2

Changes for src/KOKKOS/pair_exp6_rx_kokkos.cpp: 3 added lines, 2 removed lines.
Original line number	Diff line number	Diff line
		@@ -32,6 +32,7 @@
		#include "neigh_request.h"
		#include "atom_kokkos.h"
		#include "kokkos.h"
		#include "utils.h"

		#ifdef _OPENMP
		#include <omp.h>
		@@ -1752,7 +1753,7 @@ void PairExp6rxKokkos<DeviceType>::read_file(char *file)
		// strip comment, skip line if blank

		if ((ptr = strchr(line,'#'))) *ptr = '\0';
		nwords = atom->count_words(line);
		nwords = utils::count_words(line);
		if (nwords == 0) continue;

		// concatenate additional lines until have params_per_line words
		@@ -1771,7 +1772,7 @@ void PairExp6rxKokkos<DeviceType>::read_file(char *file)
		MPI_Bcast(&n,1,MPI_INT,0,world);
		MPI_Bcast(line,n,MPI_CHAR,0,world);
		if ((ptr = strchr(line,'#'))) *ptr = '\0';
		nwords = atom->count_words(line);
		nwords = utils::count_words(line);
		}

		if (nwords != params_per_line)