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Merge branch 'thermo-energy' of github.com:lammps/lammps into thermo-energy

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This commit is contained in:
Axel Kohlmeyer
2021-02-08 20:04:46 -05:00
parent a6aabc0a93 0797d15219
commit 72ce5c6238
1 changed files with 5 additions and 5 deletions
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10
src/KOKKOS/modify_kokkos.cpp
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@ -399,11 +399,11 @@ void ModifyKokkos::energy_atom(int nlocal, double *energy)
int i,j;
double *eatom;
//for (i = 0; i < n_energy_atom; i++) {
// eatom = fix[list_energy_atom[i]]->eatom;
// if (!eatom) continue;
// for (j = 0; j < nlocal; j++) energy[j] += eatom[j];
//}
for (i = 0; i < n_energy_atom; i++) {
eatom = fix[list_energy_atom[i]]->eatom;
if (!eatom) continue;
for (j = 0; j < nlocal; j++) energy[j] += eatom[j];
}
}
/* ----------------------------------------------------------------------