search

mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields
https://foyer.mosdef.org
MIT License
119 stars 78 forks source link

changed the atom classes from mirroring their names to what they are … #474

Closed dyukovsm closed 2 years ago

dyukovsm commented 2 years ago

…in gromacs

PR Summary:

PR Checklist

daico007 commented 2 years ago

sorry for taking forever and for the amount of changes request, I don't think I have push access to your fork of foyer @dyukovsm

daico007 commented 2 years ago

I think you would also need to update the CHANGELOG.MD about these changes.