Unverified Commit cdea8968 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1143 from athomps/semigrand_issue_1139 

Fixed sign error on mu for semigrand variant of fix atom/swap
parents 177044cd 9e9b9723

src/MC/fix_atom_swap.cpp

+1 −1
Original line number Diff line number Diff line
@@ -377,7 +377,7 @@ int FixAtomSwap::attempt_semi_grand() 
  int success = 0;

  if (i >= 0)

    if (random_unequal->uniform() <

      exp(-beta*(energy_after - energy_before

      exp(beta*(energy_before - energy_after

            + mu[jtype] - mu[itype]))) success = 1;



  int success_all = 0;

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