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This commit is contained in:
Axel Kohlmeyer
2022-09-09 17:29:11 -04:00
parent ddf97461da
commit 7f4fe0d3ad
2 changed files with 7 additions and 7 deletions
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12
src/fix_pair.cpp
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@ -93,7 +93,7 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) :
if (trigger[ifield]) {
int dim;
triggerptr[ifield] = (int *) pstyle->extract(triggername[ifield],dim);
if (!triggerptr[ifield])
if (!triggerptr[ifield])
error->all(FLERR,"Fix pair pair style cannot extract {}",
triggername[ifield]);
if (dim) error->all(FLERR,"Fix pair pair style {} is not a scalar",
@ -102,7 +102,7 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) :
}
// if set peratom_freq = Nevery, then cannot access the per-atom
// values as part of thermo output during minimiziation
// values as part of thermo output during minimiziation
// at different frequency or on last step of minimization
// instead set peratom_freq = 1
// ok, since vector/array always have values
@ -155,7 +155,7 @@ FixPair::~FixPair()
delete [] trigger;
delete [] triggername;
delete [] triggerptr;
if (ncols == 1) memory->destroy(vector);
else memory->destroy(array);
}
@ -225,7 +225,7 @@ void FixPair::post_force(int /*vflag*/)
{
if (update->ntimestep % nevery) return;
// extract pair style fields one by one
// extract pair style fields one by one
// store their values in this fix
int nlocal = atom->nlocal;
@ -235,12 +235,12 @@ void FixPair::post_force(int /*vflag*/)
for (int ifield = 0; ifield < nfield; ifield++) {
void *pvoid = pstyle->extract_peratom(fieldname[ifield],columns);
if (pvoid == nullptr)
if (pvoid == nullptr)
error->all(FLERR,"Fix pair pair style cannot extract {}",fieldname[ifield]);
if (columns == 0) {
double *pvector = (double *) pvoid;
if (ncols == 1) {
if (ncols == 1) {
for (int i = 0; i < nlocal; i++)
vector[i] = pvector[i];
} else {