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changes to fixes that use THERMO_ENERGY

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This commit is contained in:
Plimpton
2021-01-21 11:32:11 -07:00
parent f54fd8fa72
commit 182eb35f1a
19 changed files with 151 additions and 157 deletions
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6
src/compute_stress_atom.cpp
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@ -219,8 +219,10 @@ void ComputeStressAtom::compute_peratom()
// and fix ave/spatial uses a per-atom stress from this compute as input
if (fixflag) {
for (int ifix = 0; ifix < modify->nfix; ifix++)
if (modify->fix[ifix]->virial_flag) {
Fix **fix = modify->fix;
int nfix = modify->nfix;
for (int ifix = 0; ifix < nfix; ifix++)
if (fix[i]->virial_atom_flag && fix[ifix]->virial_flag) {
double **vatom = modify->fix[ifix]->vatom;
if (vatom)
for (i = 0; i < nlocal; i++)