Merge pull request #1993 from akohlmey/strncmp-update (2321789d) · Commits · 郑智淋 / lammps

src/KOKKOS/fix_rx_kokkos.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -27,6 +27,7 @@
		#include "comm.h"
		#include "domain.h"
		#include "kokkos.h"
		#include "utils.h"

		#include <cfloat> // DBL_EPSILON

		@@ -128,7 +129,7 @@ void FixRxKokkos<DeviceType>::init()

		bool eos_flag = false;
		for (int i = 0; i < modify->nfix; i++)
		if (strncmp(modify->fix[i]->style,"eos/table/rx",3) == 0) eos_flag = true;
		if (utils::strmatch(modify->fix[i]->style,"^eos/table/rx")) eos_flag = true;
		if(!eos_flag) error->all(FLERR,"fix rx requires fix eos/table/rx to be specified");

		if (update_kinetics_data)

+2 −1

Original line number	Diff line number	Diff line
		@@ -33,6 +33,7 @@
		#include "kokkos_few.h"
		#include "kokkos.h"
		#include "modify.h"
		#include "utils.h"
		#include <cassert>

		using namespace LAMMPS_NS;
		@@ -1022,7 +1023,7 @@ void PairTableRXKokkos<DeviceType>::coeff(int narg, char **arg)

		bool rx_flag = false;
		for (int i = 0; i < modify->nfix; i++)
		if (strncmp(modify->fix[i]->style,"rx",2) == 0) rx_flag = true;
		if (utils::strmatch(modify->fix[i]->style,"^rx")) rx_flag = true;
		if (!rx_flag) error->all(FLERR,"PairTableRX requires a fix rx command.");

		int ilo,ihi,jlo,jhi;

+1 −1

Original line number	Diff line number	Diff line
		@@ -51,7 +51,7 @@ FixEOStableRX::FixEOStableRX(LAMMPS lmp, int narg, char *arg) :
		rx_flag = false;
		nspecies = 1;
		for (int i = 0; i < modify->nfix; i++)
		if (strncmp(modify->fix[i]->style,"rx",2) == 0){
		if (utils::strmatch(modify->fix[i]->style,"^rx")) {
		rx_flag = true;
		nspecies = atom->nspecies_dpd;
		if(nspecies==0) error->all(FLERR,"There are no rx species specified.");

+2 −1

Original line number	Diff line number	Diff line
		@@ -31,6 +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
		@@ -256,7 +257,7 @@ void FixRX::post_constructor()
		bool match;

		for (int i = 0; i < modify->nfix; i++)
		if (strncmp(modify->fix[i]->style,"property/atom",13) == 0)
		if (utils::strmatch(modify->fix[i]->style,"^property/atom") == 0)
		error->all(FLERR,"fix rx cannot be combined with fix property/atom");

		char *tmpspecies = new char[maxspecies];

+6 −4

Original line number	Diff line number	Diff line
		@@ -54,6 +54,7 @@
		#include "pair_dpd_fdt_energy.h"
		#include "npair_half_bin_newton_ssa.h"
		#include "citeme.h"
		#include "utils.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;
		@@ -155,12 +156,13 @@ void FixShardlow::setup(int /vflag/)
		bool fixShardlow = false;

		for (int i = 0; i < modify->nfix; i++)
		if (strncmp(modify->fix[i]->style,"nvt",3) == 0 \|\| strncmp(modify->fix[i]->style,"npt",3) == 0)
		error->all(FLERR,"Cannot use constant temperature integration routines with DPD.");
		if (strstr(modify->fix[i]->style,"nvt") \|\| strstr(modify->fix[i]->style,"npt") \|\|
		strstr(modify->fix[i]->style,"gle") \|\| strstr(modify->fix[i]->style,"gld"))
		error->all(FLERR,"Cannot use constant temperature integration routines with USER-DPD.");

		for (int i = 0; i < modify->nfix; i++){
		if (strncmp(modify->fix[i]->style,"shardlow",3) == 0) fixShardlow = true;
		if (strncmp(modify->fix[i]->style,"nve",3) == 0 \|\| (strncmp(modify->fix[i]->style,"nph",3) == 0)){
		if (utils::strmatch(modify->fix[i]->style,"^shardlow")) fixShardlow = true;
		if (utils::strmatch(modify->fix[i]->style,"^nve") \|\| utils::strmatch(modify->fix[i]->style,"^nph")){
		if(fixShardlow) break;
		else error->all(FLERR,"The deterministic integrator must follow fix shardlow in the input file.");
		}