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by Kamil Polok
Thu May 30, 2019 11:23 am
Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
Topic: Error in ForceBalance documentation
Replies: 0
Views: 374

Error in ForceBalance documentation

Hi, The manual states the following: ATTENUATE (Bool) One-line description : Normalize interaction energies using 1/(denom**2 + reference**2) only for repulsive interactions greater than denom. The code instead says: elif self.attenuate: if Reference_ < Denom_: Divisor_ = Denom_ else: Divisor_ = np....