Commit b3a7a534 authored by Donatas Surblys's avatar Donatas Surblys
Browse files

make fix langevin correctly account for energy with 'zero yes'

parent 34d42091

src/fix_langevin.cpp

+5 −0
Original line number Diff line number Diff line
@@ -605,6 +605,11 @@ void FixLangevin::post_force_untemplated 
        f[i][0] -= fsumall[0];

        f[i][1] -= fsumall[1];

        f[i][2] -= fsumall[2];

        if (Tp_TALLY) {

          flangevin[i][0] -= fsumall[0];

          flangevin[i][1] -= fsumall[1];

          flangevin[i][2] -= fsumall[2];

        }

      }

    }

  }

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