some dead code removal in pair style kim. (86f4080b) · Commits · 郑智淋 / lammps

src/KIM/pair_kim.cpp

+3 −11

Original line number	Diff line number	Diff line
		@@ -189,8 +189,6 @@ void PairKIM::set_contributing()

		void PairKIM::compute(int eflag , int vflag)
		{
		int kimerror;

		ev_init(eflag,vflag);

		// grow kim_particleSpecies and kim_particleContributing array if necessary
		@@ -238,7 +236,7 @@ void PairKIM::compute(int eflag , int vflag)
		lmps_local_tot_num_atoms = (int) nall;

		// compute via KIM model
		kimerror = KIM_Model_Compute(pkim, pargs);
		int kimerror = KIM_Model_Compute(pkim, pargs);
		if (kimerror) error->all(FLERR,"KIM Compute returned error");

		// compute virial before reverse comm!
		@@ -434,10 +432,9 @@ void PairKIM::coeff(int narg, char **arg)
		kim_particle_codes = new int[lmps_num_unique_elements];
		kim_particle_codes_ok = true;
		for(int i = 0; i < lmps_num_unique_elements; i++){
		int kimerror;
		int supported;
		int code;
		kimerror = KIM_Model_GetSpeciesSupportAndCode(
		KIM_Model_GetSpeciesSupportAndCode(
		pkim,
		KIM_SpeciesName_FromString(lmps_unique_elements[i]),
		&supported,
		@@ -468,8 +465,6 @@ void PairKIM::init_style()
		if (domain->dimension != 3)
		error->all(FLERR,"PairKIM only works with 3D problems");

		int kimerror;

		// setup lmps_stripped_neigh_list for neighbors of one atom, if needed
		if (lmps_using_molecular) {
		memory->destroy(lmps_stripped_neigh_list);
		@@ -720,9 +715,8 @@ int PairKIM::get_neigh(void const * const dataObject,
		*numberOfNeighbors = 0;

		NeighList * neiobj = Model->neighborLists[neighborListIndex];
		int nAtoms = Model->lmps_local_tot_num_atoms;

		int j, jj, inum, ilist, numneigh, **firstneigh;
		int inum, ilist, numneigh, **firstneigh;
		inum = neiobj->inum; //# of I atoms neighbors are stored for
		ilist = neiobj->ilist; //local indices of I atoms
		numneigh = neiobj->numneigh; // # of J neighbors for each I atom
		@@ -750,8 +744,6 @@ int PairKIM::get_neigh(void const * const dataObject,

		void PairKIM::kim_free()
		{
		int kimerror;

		if (kim_init_ok)
		{
		int kimerror = KIM_Model_ComputeArgumentsDestroy(pkim, &pargs);

Admin message