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fix bug in energy tally for 4-atom angle term

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Axel Kohlmeyer
2022-08-11 22:50:57 -04:00
parent 208caacb89
commit e5219e6a10
1 changed files with 1 additions and 0 deletions
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src/angle.cpp
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@ -382,6 +382,7 @@ void Angle::ev_tally4(int i, int j, int k, int m, int nlocal, int newton_bond,
if (i < nlocal) energy += eanglefourth; if (i < nlocal) energy += eanglefourth;
if (j < nlocal) energy += eanglefourth; if (j < nlocal) energy += eanglefourth;
if (k < nlocal) energy += eanglefourth; if (k < nlocal) energy += eanglefourth;
if (m < nlocal) energy += eanglefourth;
} }
} }
if (eflag_atom) { if (eflag_atom) {