Switch to sprintf() instead of std::string etc. (0e7d647a) · Commits · 郑智淋 / lammps

src/KOKKOS/pair_reaxc_kokkos.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -143,7 +143,7 @@ template<class DeviceType>
		void PairReaxCKokkos<DeviceType>::init_style()
		{
		PairReaxC::init_style();
		if (fix_reax) modify->delete_fix(fix_id.c_str()); // not needed in the Kokkos version
		if (fix_reax) modify->delete_fix(fix_id); // not needed in the Kokkos version
		fix_reax = NULL;

		// irequest = neigh request made by parent class

+2 −6

Original line number	Diff line number	Diff line
		@@ -33,8 +33,6 @@
		High Performance Computing Applications, to appear.
		------------------------------------------------------------------------- */

		#include <sstream>

		#include "pair_reaxc_omp.h"
		#include "atom.h"
		#include "update.h"
		@@ -99,9 +97,7 @@ PairReaxCOMP::PairReaxCOMP(LAMMPS *lmp) : PairReaxC(lmp), ThrOMP(lmp, THR_PAIR)

		num_nbrs_offset = NULL;

		std::stringstream ss;
		ss << "REAXC_COMP_" << std::dec << Pair::instance_me;
		fix_id = ss.str();
		sprintf(fix_id, "REAXC_OMP_%d", Pair::instance_me);

		#ifdef OMP_TIMING
		for (int i=0;i<LASTTIMINGINDEX;i++) {
		@@ -379,7 +375,7 @@ void PairReaxCOMP::init_style( )

		if (fix_reax == NULL) {
		char *fixarg = new char[3];
		fixarg[0] = (char *) fix_id.c_str();
		fixarg[0] = (char *) fix_id;
		fixarg[1] = (char *) "all";
		fixarg[2] = (char *) "REAXC";
		modify->add_fix(3,fixarg);

+1 −1

Original line number	Diff line number	Diff line
		@@ -76,7 +76,7 @@ class PairReaxCOMP : public PairReaxC, public ThrOMP {
		}

		protected:
		std::string fix_id;
		char fix_id[128];
		virtual void setup();
		virtual void write_reax_atoms();
		virtual int estimate_reax_lists();

+3 −7

Original line number	Diff line number	Diff line
		@@ -20,8 +20,6 @@
		Hybrid and hybrid/overlay compatibility added by Ray Shan (Sandia)
		------------------------------------------------------------------------- */

		#include <sstream>

		#include "pair_reaxc.h"
		#include "atom.h"
		#include "update.h"
		@@ -76,9 +74,7 @@ PairReaxC::PairReaxC(LAMMPS *lmp) : Pair(lmp)
		manybody_flag = 1;
		ghostneigh = 1;

		std::stringstream ss;
		ss << "REAXC_" << std::dec << Pair::instance_me;
		fix_id = ss.str();
		sprintf(fix_id, "REAXC_%d", Pair::instance_me);

		system = (reax_system *)
		memory->smalloc(sizeof(reax_system),"reax:system");
		@@ -141,7 +137,7 @@ PairReaxC::~PairReaxC()
		{
		if (copymode) return;

		if (fix_reax) modify->delete_fix(fix_id.c_str());
		if (fix_reax) modify->delete_fix(fix_id);

		if (setup_flag) {
		Close_Output_Files( system, control, out_control, mpi_data );
		@@ -418,7 +414,7 @@ void PairReaxC::init_style( )

		if (fix_reax == NULL) {
		char *fixarg = new char[3];
		fixarg[0] = (char *) fix_id.c_str();
		fixarg[0] = (char *) fix_id;
		fixarg[1] = (char *) "all";
		fixarg[2] = (char *) "REAXC";
		modify->add_fix(3,fixarg);

+1 −1

Original line number	Diff line number	Diff line
		@@ -60,7 +60,7 @@ class PairReaxC : public Pair {
		bigint ngroup;

		protected:
		std::string fix_id;
		char fix_id[128];
		double cutmax;
		int nelements; // # of unique elements
		char **elements; // names of unique elements