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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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2
src/dump.cpp
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@ -310,7 +310,7 @@ void Dump::init()
if (skipflag) { if (skipflag) {
skipindex = input->variable->find(skipvar); skipindex = input->variable->find(skipvar);
if (skipindex < 0) error->all(FLERR,"Dump skip variable not found"); if (skipindex < 0) error->all(FLERR,"Dump skip variable not found");
if (!input->variable->equalstyle(skipindex)) if (!input->variable->equalstyle(skipindex))
error->all(FLERR,"Variable for dump skip is invalid style"); error->all(FLERR,"Variable for dump skip is invalid style");
} }

12
src/fix_pair.cpp
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@ -93,7 +93,7 @@ FixPair::FixPair(LAMMPS *lmp, int narg, char **arg) :
if (trigger[ifield]) { if (trigger[ifield]) {
int dim; int dim;
triggerptr[ifield] = (int *) pstyle->extract(triggername[ifield],dim); triggerptr[ifield] = (int *) pstyle->extract(triggername[ifield],dim);
if (!triggerptr[ifield]) if (!triggerptr[ifield])
error->all(FLERR,"Fix pair pair style cannot extract {}", error->all(FLERR,"Fix pair pair style cannot extract {}",
triggername[ifield]); triggername[ifield]);
if (dim) error->all(FLERR,"Fix pair pair style {} is not a scalar", 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 // 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 // at different frequency or on last step of minimization
// instead set peratom_freq = 1 // instead set peratom_freq = 1
// ok, since vector/array always have values // ok, since vector/array always have values
@ -155,7 +155,7 @@ FixPair::~FixPair()
delete [] trigger; delete [] trigger;
delete [] triggername; delete [] triggername;
delete [] triggerptr; delete [] triggerptr;
if (ncols == 1) memory->destroy(vector); if (ncols == 1) memory->destroy(vector);
else memory->destroy(array); else memory->destroy(array);
} }
@ -225,7 +225,7 @@ void FixPair::post_force(int /*vflag*/)
{ {
if (update->ntimestep % nevery) return; 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 // store their values in this fix
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
@ -235,12 +235,12 @@ void FixPair::post_force(int /*vflag*/)
for (int ifield = 0; ifield < nfield; ifield++) { for (int ifield = 0; ifield < nfield; ifield++) {
void *pvoid = pstyle->extract_peratom(fieldname[ifield],columns); 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]); error->all(FLERR,"Fix pair pair style cannot extract {}",fieldname[ifield]);
if (columns == 0) { if (columns == 0) {
double *pvector = (double *) pvoid; double *pvector = (double *) pvoid;
if (ncols == 1) { if (ncols == 1) {
for (int i = 0; i < nlocal; i++) for (int i = 0; i < nlocal; i++)
vector[i] = pvector[i]; vector[i] = pvector[i];
} else { } else {