forcefield-utilities 0.1.0

umesh-timalsina released this 23 Mar 19:20

· 40 commits to main since this release

c3620b9

First release of the forcefield-utilities package with ability to convert XMLs from Foyer to a GMSO forcefield.

Features

Set up testing using GHA. Closes #1 by @umesh-timalsina in #2
Fix strip order in overrides by @umesh-timalsina in #9
Documentation and features for setup as conda package by @CalCraven in #10
Fix README by @umesh-timalsina in #11

Contributors

umesh-timalsina and CalCraven

Assets 2