USER-BOCS and other compute pressures

2021-01-21 17:27:45 -07:00
parent 5a23b804d9
commit d169f6c169
3 changed files with 21 additions and 19 deletions
--- a/src/compute_stress_atom.cpp
+++ b/src/compute_stress_atom.cpp
@ -223,7 +223,7 @@ void ComputeStressAtom::compute_peratom()
    int nfix = modify->nfix;
    for (int ifix = 0; ifix < nfix; ifix++)
      if (fix[i]->virial_peratom_flag && fix[ifix]->thermo_virial) {
-        double **vatom = modify->fix[ifix]->vatom;
+        double **vatom = fix[ifix]->vatom;
        if (vatom)
          for (i = 0; i < nlocal; i++)
            for (j = 0; j < 6; j++)