use regex pattern matching to make style lookup more specific with less code (2f6018b0) · Commits · 郑智淋 / lammps

src/USER-INTEL/fix_intel.cpp

+5 −16

Original line number	Diff line number	Diff line
		@@ -312,12 +312,7 @@ void FixIntel::init()
		#endif

		const int nstyles = _pair_intel_count;
		if (force->pair_match("hybrid", 1) != NULL) {
		_pair_hybrid_flag = 1;
		if (force->newton_pair != 0 && force->pair->no_virial_fdotr_compute)
		error->all(FLERR,
		"Intel package requires fdotr virial with newton on.");
		} else if (force->pair_match("hybrid/overlay", 1) != NULL) {
		if (force->pair_match("^hybrid", 0) != NULL) {
		_pair_hybrid_flag = 1;
		if (force->newton_pair != 0 && force->pair->no_virial_fdotr_compute)
		error->all(FLERR,
		@@ -513,12 +508,9 @@ void FixIntel::bond_init_check()
		"USER-INTEL package requires same setting for newton bond and non-bond.");

		int intel_pair = 0;
		if (force->pair_match("/intel", 0) != NULL)
		if (force->pair_match("/intel$", 0) != NULL)
		intel_pair = 1;
		else if (force->pair_match("hybrid", 1) != NULL) {
		_hybrid_nonpair = 1;
		if (_pair_intel_count) intel_pair = 1;
		} else if (force->pair_match("hybrid/overlay", 1) != NULL) {
		else if (force->pair_match("^hybrid", 1) != NULL) {
		_hybrid_nonpair = 1;
		if (_pair_intel_count) intel_pair = 1;
		}
		@@ -533,12 +525,9 @@ void FixIntel::bond_init_check()
		void FixIntel::kspace_init_check()
		{
		int intel_pair = 0;
		if (force->pair_match("/intel", 0) != NULL)
		if (force->pair_match("/intel$", 0) != NULL)
		intel_pair = 1;
		else if (force->pair_match("hybrid", 1) != NULL) {
		_hybrid_nonpair = 1;
		if (_pair_intel_count) intel_pair = 1;
		} else if (force->pair_match("hybrid/overlay", 1) != NULL) {
		else if (force->pair_match("^hybrid", 0) != NULL) {
		_hybrid_nonpair = 1;
		if (_pair_intel_count) intel_pair = 1;
		}

src/USER-INTEL/fix_intel.h

+2 −3

Original line number	Diff line number	Diff line
		@@ -85,13 +85,12 @@ class FixIntel : public Fix {
		}
		inline void set_reduce_flag() { if (_nthreads > 1) _need_reduce = 1; }
		inline int lrt() {
		if (force->kspace_match("pppm/intel", 0) && update->whichflag == 1)
		if (force->kspace_match("^pppm/.*intel$", 0) && update->whichflag == 1)
		return _lrt;
		else return 0;
		}
		inline int pppm_table() {
		if (force->kspace_match("pppm/intel", 0) \|\|
		force->kspace_match("pppm/disp/intel",0))
		if (force->kspace_match("^pppm/.*intel$", 0))
		return INTEL_P3M_TABLE;
		else return 0;
		}

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