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some dead code removal in pair style kim.

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This commit is contained in:
Axel Kohlmeyer
2019-04-06 16:48:29 -04:00
parent 59a4d42231
commit 86f4080b71
1 changed files with 3 additions and 11 deletions
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14
src/KIM/pair_kim.cpp
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@ -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);