Fixed sign error on mu for semigrand variant

2018-10-02 16:56:27 -06:00
parent 177044cd07
commit 9e9b97231c
1 changed files with 1 additions and 1 deletions
--- a/src/MC/fix_atom_swap.cpp
+++ b/src/MC/fix_atom_swap.cpp
@ -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;