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implement changes that follow the equivalent files in upstream

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This commit is contained in:
Axel Kohlmeyer
2014-04-11 13:01:07 +02:00
parent 1f5400e153
commit 4d46b70cce
7 changed files with 18 additions and 21 deletions
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1
src/FLD/pair_lubricateU_poly.cpp
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@ -625,6 +625,7 @@ void PairLubricateUPoly::compute_RU(double **x)
double vxmu2f = force->vxmu2f;
double a_sq = 0.0;
double a_sh = 0.0;
double a_pu = 0.0;
inum = list->inum;
ilist = list->ilist;

6
src/USER-OMP/fix_qeq_comb_omp.cpp
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@ -54,7 +54,7 @@ void FixQEQCombOMP::init()
if (!atom->q_flag)
error->all(FLERR,"Fix qeq/comb/omp requires atom attribute q");
if (NULL == force->pair_match("comb3",0))
if (NULL != force->pair_match("comb3",0))
error->all(FLERR,"No support for comb3 currently available in USER-OMP");
comb = (PairComb *) force->pair_match("comb/omp",1);
@ -79,10 +79,6 @@ void FixQEQCombOMP::init()
}
int irequest = neighbor->request(this);
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->fix = 1;
neighbor->requests[irequest]->half = 0;
neighbor->requests[irequest]->full = 1;
neighbor->requests[irequest]->omp = use_omp;
}

6
src/USER-OMP/neigh_full_omp.cpp
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@ -255,7 +255,7 @@ void Neighbor::full_bin_omp(NeighList *list)
{
// bin owned & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -367,7 +367,7 @@ void Neighbor::full_bin_ghost_omp(NeighList *list)
{
// bin owned & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = atom->nlocal;
const int nall = nlocal + atom->nghost;
@ -510,7 +510,7 @@ void Neighbor::full_multi_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;

6
src/USER-OMP/neigh_gran_omp.cpp
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@ -271,7 +271,7 @@ void Neighbor::granular_bin_no_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
@ -424,7 +424,7 @@ void Neighbor::granular_bin_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
@ -533,7 +533,7 @@ void Neighbor::granular_bin_newton_tri_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;

8
src/USER-OMP/neigh_half_bin_omp.cpp
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@ -35,7 +35,7 @@ void Neighbor::half_bin_no_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -152,7 +152,7 @@ void Neighbor::half_bin_no_newton_ghost_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = atom->nlocal;
const int nall = nlocal + atom->nghost;
@ -299,7 +299,7 @@ void Neighbor::half_bin_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -447,7 +447,7 @@ void Neighbor::half_bin_newton_tri_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;

6
src/USER-OMP/neigh_half_multi_omp.cpp
View File

@ -36,7 +36,7 @@ void Neighbor::half_multi_no_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -158,7 +158,7 @@ void Neighbor::half_multi_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -314,7 +314,7 @@ void Neighbor::half_multi_newton_tri_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;

6
src/USER-OMP/neigh_respa_omp.cpp
View File

@ -390,7 +390,7 @@ void Neighbor::respa_bin_no_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -569,7 +569,7 @@ void Neighbor::respa_bin_newton_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;
@ -795,7 +795,7 @@ void Neighbor::respa_bin_newton_tri_omp(NeighList *list)
{
// bin local & ghost atoms
bin_atoms();
if (binatomflag) bin_atoms();
const int nlocal = (includegroup) ? atom->nfirst : atom->nlocal;
const int molecular = atom->molecular;