4 Commits

Author SHA1 Message Date
Matt Thompson
54e6e4099e Add uniform, automated linting (#319)
* Add uniform, automated linting

* Remove code paths that use old OpenFF Toolkit API

* Re-lint

* Switch to ruff

* Fix

* Fix bad merge

* Another lint
2024-05-03 10:48:05 -07:00
John Chodera
cc200726b6 Update documentation 2020-01-05 11:49:42 -08:00
John Chodera
83dff0b7e6 Add add_molecules to SystemGenerator 2020-01-04 18:06:15 -08:00
John Chodera
8d5bdee59d Update to MolSSI cookiecutter 2019-10-26 18:55:15 -07:00