AlexandriaChemistry / AlexandriaChemistry/ACT
Implement constraints in ACT
Ouverte
enhancement
help wanted
- Langage dominant
- C++
- Étoiles
- 18
- Forks
- 3
- Merge moyen
- 42 min
- PR mergées (30 j)
- 12
Description
It would be of interest to implement a bond constraint algorithm into ACT, both for the purpose of comparing to existing models (e.g. water models) and for our own trainings. It may make sense, for example, to develop a force field with constrained bond lengths for X-H bonds.
Guide de contribution
Aucun guide de contribution indexé pour ce dépôt
Évaluation
Cette issue n'a pas encore été évaluée.