implement some examples for using the utils::strmatch() function and use it... (bb36e6e3) · Commits · 郑智淋 / lammps

src/GPU/fix_gpu.cpp

+7 −12

Original line number	Diff line number	Diff line
		@@ -30,6 +30,7 @@
		#include "neighbor.h"
		#include "citeme.h"
		#include "error.h"
		#include "utils.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;
		@@ -221,12 +222,11 @@ void FixGPU::init()
		// hybrid cannot be used with force/neigh option

		if (_gpu_mode == GPU_NEIGH \|\| _gpu_mode == GPU_HYB_NEIGH)
		if (force->pair_match("hybrid",1) != NULL \|\|
		force->pair_match("hybrid/overlay",1) != NULL)
		if (force->pair_match("^hybrid",0) != NULL)
		error->all(FLERR,"Cannot use pair hybrid with GPU neighbor list builds");

		if (_particle_split < 0)
		if (force->pair_match("hybrid",1) != NULL \|\|
		force->pair_match("hybrid/overlay",1) != NULL)
		if (force->pair_match("^hybrid",0) != NULL)
		error->all(FLERR,"GPU split param must be positive "
		"for hybrid pair styles");

		@@ -243,21 +243,16 @@ void FixGPU::init()

		// make sure fdotr virial is not accumulated multiple times

		if (force->pair_match("hybrid",1) != NULL) {
		if (force->pair_match("^hybrid",0) != NULL) {
		PairHybrid hybrid = (PairHybrid ) force->pair;
		for (int i = 0; i < hybrid->nstyles; i++)
		if (strstr(hybrid->keywords[i],"/gpu")==NULL)
		force->pair->no_virial_fdotr_compute = 1;
		} else if (force->pair_match("hybrid/overlay",1) != NULL) {
		PairHybridOverlay hybrid = (PairHybridOverlay ) force->pair;
		for (int i = 0; i < hybrid->nstyles; i++)
		if (strstr(hybrid->keywords[i],"/gpu")==NULL)
		if (utils::strmatch(hybrid->keywords[i],"/gpu$") == NULL)
		force->pair->no_virial_fdotr_compute = 1;
		}

		// rRESPA support

		if (strstr(update->integrate_style,"respa"))
		if (utils::strmatch(update->integrate_style,"^respa"))
		_nlevels_respa = ((Respa *) update->integrate)->nlevels;
		}

src/MANYBODY/fix_qeq_comb.cpp

+5 −3

Original line number	Diff line number	Diff line
		@@ -33,6 +33,8 @@
		#include "update.h"
		#include "memory.h"
		#include "error.h"
		#include "utils.h"

		using namespace LAMMPS_NS;
		using namespace FixConst;

		@@ -121,12 +123,12 @@ void FixQEQComb::init()
		if (!atom->q_flag)
		error->all(FLERR,"Fix qeq/comb requires atom attribute q");

		comb = (PairComb *) force->pair_match("comb",1);
		comb3 = (PairComb3 *) force->pair_match("comb3",1);
		comb = (PairComb *) force->pair_match("^comb",0);
		comb3 = (PairComb3 *) force->pair_match("^comb3",0);
		if (comb == NULL && comb3 == NULL)
		error->all(FLERR,"Must use pair_style comb or comb3 with fix qeq/comb");

		if (strstr(update->integrate_style,"respa")) {
		if (utils::strmatch(update->integrate_style,"^respa")) {
		ilevel_respa = ((Respa *) update->integrate)->nlevels-1;
		if (respa_level >= 0) ilevel_respa = MIN(respa_level,ilevel_respa);
		}

src/MC/fix_gcmc.cpp

+3 −4

Original line number	Diff line number	Diff line
		@@ -46,9 +46,8 @@
		#include "thermo.h"
		#include "output.h"
		#include "neighbor.h"
		#include <iostream>
		#include "utils.h"

		using namespace std;
		using namespace LAMMPS_NS;
		using namespace FixConst;
		using namespace MathConst;
		@@ -478,8 +477,8 @@ void FixGCMC::init()
		if ((force->kspace) \|\|
		(force->pair == NULL) \|\|
		(force->pair->single_enable == 0) \|\|
		(force->pair_match("hybrid",0)) \|\|
		(force->pair_match("eam",0)) \|\|
		(force->pair_match("^hybrid",0)) \|\|
		(force->pair_match("^eam",0)) \|\|
		(force->pair->tail_flag)
		) {
		full_flag = true;

src/compute_group_group.cpp

+3 −1

Original line number	Diff line number	Diff line
		@@ -33,6 +33,7 @@
		#include "comm.h"
		#include "domain.h"
		#include "math_const.h"
		#include "utils.h"

		using namespace LAMMPS_NS;
		using namespace MathConst;
		@@ -124,7 +125,8 @@ void ComputeGroupGroup::init()

		if (pairflag && force->pair == NULL)
		error->all(FLERR,"No pair style defined for compute group/group");
		if (force->pair_match("hybrid",0) == NULL && force->pair->single_enable == 0)
		if (force->pair_match("^hybrid",0) == NULL
		&& force->pair->single_enable == 0)
		error->all(FLERR,"Pair style does not support compute group/group");

		// error if Kspace style does not compute group/group interactions

src/force.cpp

+6 −18

Original line number	Diff line number	Diff line
		@@ -35,6 +35,7 @@
		#include "group.h"
		#include "memory.h"
		#include "error.h"
		#include "utils.h"

		using namespace LAMMPS_NS;

		@@ -287,26 +288,13 @@ Pair Force::pair_match(const char word, int exact, int nsub)
		int iwhich,count;

		if (exact && strcmp(pair_style,word) == 0) return pair;
		else if (!exact && strstr(pair_style,word)) return pair;

		else if (strstr(pair_style,"hybrid/overlay")) {
		PairHybridOverlay hybrid = (PairHybridOverlay ) pair;
		count = 0;
		for (int i = 0; i < hybrid->nstyles; i++)
		if ((exact && strcmp(hybrid->keywords[i],word) == 0) \|\|
		(!exact && strstr(hybrid->keywords[i],word))) {
		iwhich = i;
		count++;
		if (nsub == count) return hybrid->styles[iwhich];
		}
		if (count == 1) return hybrid->styles[iwhich];

		} else if (strstr(pair_style,"hybrid")) {
		else if (!exact && utils::strmatch(pair_style,word)) return pair;
		else if (utils::strmatch(pair_style,"^hybrid")) {
		PairHybrid hybrid = (PairHybrid ) pair;
		count = 0;
		for (int i = 0; i < hybrid->nstyles; i++)
		if ((exact && strcmp(hybrid->keywords[i],word) == 0) \|\|
		(!exact && strstr(hybrid->keywords[i],word))) {
		(!exact && utils::strmatch(hybrid->keywords[i],word))) {
		iwhich = i;
		count++;
		if (nsub == count) return hybrid->styles[iwhich];
		@@ -327,7 +315,7 @@ char Force::pair_match_ptr(Pair ptr)
		{
		if (ptr == pair) return pair_style;

		if (strstr(pair_style,"hybrid")) {
		if (utils::strmatch(pair_style,"^hybrid")) {
		PairHybrid hybrid = (PairHybrid ) pair;
		for (int i = 0; i < hybrid->nstyles; i++)
		if (ptr == hybrid->styles[i]) return hybrid->keywords[i];
		@@ -741,7 +729,7 @@ KSpace Force::kspace_creator(LAMMPS lmp)
		KSpace Force::kspace_match(const char word, int exact)
		{
		if (exact && strcmp(kspace_style,word) == 0) return kspace;
		else if (!exact && strstr(kspace_style,word)) return kspace;
		else if (!exact && utils::strmatch(kspace_style,word)) return kspace;
		return NULL;
		}

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