Cool project! Just an update:
pair_nequip and pair_allegro under the molecular dynamics category is outdated. We "deprecated" pair_nequip and merged it into what used to be the pair_allegro repo, which is now called pair_nequip_allegro: https://github.com/mir-group/pair_nequip_allegro
Thanks!
Cool project! Just an update:
pair_nequipandpair_allegrounder the molecular dynamics category is outdated. We "deprecated"pair_nequipand merged it into what used to be thepair_allegrorepo, which is now calledpair_nequip_allegro: https://github.com/mir-group/pair_nequip_allegroThanks!