Skip to content

Commit

Permalink
Fixed a mistake in the docstring of the optimization method
Browse files Browse the repository at this point in the history
  • Loading branch information
YHordijk committed Feb 5, 2024
1 parent 3278d29 commit 31f6d8f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/tcutility/job/ams.py
Original file line number Diff line number Diff line change
Expand Up @@ -57,7 +57,7 @@ def transition_state(self, distances: list = None, angles: list = None, dihedral

def optimization(self):
'''
Set the task of the job to transition state search. By default also calculates the normal modes after convergence.
Set the task of the job to geometry optimization. By default also calculates the normal modes after convergence.
'''
self._task = 'GO'
self.settings.input.ams.task = 'GeometryOptimization'
Expand Down

0 comments on commit 31f6d8f

Please sign in to comment.