Merge pull request #3393 from akohlmey/test-amoeba

Add force style test for amoeba angle style and fix related bug
2022-08-12 15:05:13 -04:00
parent dd110176d1 c869a7aac2
commit 0222da9f2b
4 changed files with 112 additions and 8 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) {