fix bug in energy tally for 4-atom angle term

2022-08-11 22:50:57 -04:00
parent 208caacb89
commit e5219e6a10
1 changed files with 1 additions and 0 deletions
--- a/src/angle.cpp
+++ b/src/angle.cpp
@ -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 (j < nlocal) energy += eanglefourth;
        if (k < nlocal) energy += eanglefourth;
+        if (m < nlocal) energy += eanglefourth;
      }
    }
    if (eflag_atom) {