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This commit is contained in:
Axel Kohlmeyer
2021-07-11 09:22:38 -04:00
parent 283da2649a
commit 0dcca23cdb
2 changed files with 1 additions and 7 deletions
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src/pair.cpp
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@ -1514,7 +1514,7 @@ void Pair::v_tally2(int i, int j, double fpair, double *drij)
virial[4] += v[4];
virial[5] += v[5];
}
if (vflag_atom) {
v[0] *= 0.5;
v[1] *= 0.5;
@ -1522,7 +1522,6 @@ void Pair::v_tally2(int i, int j, double fpair, double *drij)
v[3] *= 0.5;
v[4] *= 0.5;
v[5] *= 0.5;
vatom[i][0] += v[0]; vatom[i][1] += v[1]; vatom[i][2] += v[2];
vatom[i][3] += v[3]; vatom[i][4] += v[4]; vatom[i][5] += v[5];
vatom[j][0] += v[0]; vatom[j][1] += v[1]; vatom[j][2] += v[2];
@ -1606,7 +1605,6 @@ void Pair::v_tally4(int i, int j, int k, int m,
v[3] *= 0.25;
v[4] *= 0.25;
v[5] *= 0.25;
vatom[i][0] += v[0]; vatom[i][1] += v[1]; vatom[i][2] += v[2];
vatom[i][3] += v[3]; vatom[i][4] += v[4]; vatom[i][5] += v[5];
vatom[j][0] += v[0]; vatom[j][1] += v[1]; vatom[j][2] += v[2];