Skip to content

Commit 58a8c07

Browse files
committed
Added in another step
1 parent 2c0c574 commit 58a8c07

1 file changed

Lines changed: 1 addition & 1 deletion

File tree

Modules/Ensemble.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1558,7 +1558,7 @@ def get_free_energy(self, return_error = False):
15581558
The free energy in the current dynamical matrix and at the ensemble temperature
15591559
"""
15601560

1561-
free_energy = self.current_dyn.GetHarmonicFreeEnergy(self.current_T)
1561+
free_energy = self.current_dyn.GetHarmonicFreeEnergy(self.current_T, w_pols = (self.current_w, self.current_pols))
15621562

15631563
# We got the F_0
15641564
# Now we can compute the free energy difference

0 commit comments

Comments
 (0)