Unverified Commit 117499e8 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

avoid floating point exception (log(0))

parent c9342aec

src/MC/fix_widom.cpp

+3 −3
Original line number Diff line number Diff line
@@ -1193,9 +1193,9 @@ void FixWidom::update_gas_atoms_list() 


double FixWidom::compute_vector(int n)

{

  

  if (n == 0) return -log(ave_widom_chemical_potential)/beta;

  if (n == 1) return ave_widom_chemical_potential;

  const double pot = ave_widom_chemical_potential;

  if (n == 0) return (pot > 0) ? -log(pot)/beta : 0.0;

  if (n == 1) return pot;

  if (n == 2) return volume;

  return 0.0;

}

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