nmaeder a45d4d9857 New contribs for DG (#7711) ...

* add angles and distances

* add Inversions

* add torsiona angle contribs

* use new contribs in test

* use new inversion and torsion contribs in dg

* use new distance contribs in dg

* use new angle constraints in dg

* use new constraints in FF tests

* update docstrings

* remove unused import

* include new contribs

* cleanup includes

* make changes requested by @greglandrum

* use std::move instead of release

2024-08-21 06:06:58 +02:00

3.7 KiB

Raw Blame History

View Raw