Unverified Commit f33584cf authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix missing factor of 2 bug in single function

parent f4431d05

src/MOLECULE/angle_cosine_periodic.cpp

+1 −1
Original line number Diff line number Diff line
@@ -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);

}

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