diff --git a/src/MOLECULE/angle_cosine_periodic.cpp b/src/MOLECULE/angle_cosine_periodic.cpp index 95f299683e..b305ece7dd 100644 --- a/src/MOLECULE/angle_cosine_periodic.cpp +++ b/src/MOLECULE/angle_cosine_periodic.cpp @@ -295,5 +295,5 @@ double AngleCosinePeriodic::single(int type, int i1, int i2, int i3) if (c < -1.0) c = -1.0; c = cos(acos(c)*multiplicity[type]); - return k[type]*(1.0-b[type]*powsign(multiplicity[type])*c); + return 2.0*k[type]*(1.0-b[type]*powsign(multiplicity[type])*c); }