Skip to content

Commit

Permalink
allow torsiondrive test more iterations (#387)
Browse files Browse the repository at this point in the history
* Update test_procedures.py

* Update qcengine/tests/test_procedures.py

* Update qcengine/tests/test_procedures.py

* Update qcengine/tests/test_procedures.py

* Update qcengine/tests/test_procedures.py

* Update qcengine/tests/test_procedures.py

* Update qcengine/tests/test_procedures.py
  • Loading branch information
loriab authored Nov 30, 2022
1 parent f12766f commit c68b547
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions qcengine/tests/test_procedures.py
Original file line number Diff line number Diff line change
Expand Up @@ -317,8 +317,8 @@ def test_torsiondrive_generic():
optimization_spec=OptimizationSpecification(
procedure="geomeTRIC",
keywords={
"coordsys": "dlc",
"maxiter": 300,
"coordsys": "tric",
"maxiter": 500,
"program": "rdkit",
},
),
Expand Down

0 comments on commit c68b547

Please sign in to comment.