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There have been multiple attempts that aims at integrating the virial and stress into nequip and allegro: nequip pull request, pair-allegro stress branch, etc. However, I haven't found a comprehensive tutorial to integrate virial and stress calculation with the allegro model yet. I understand that the stress feature is under development, but if I would like to test with the existing features, which branch should I use for nequip, allegro and pair-allegro? Thanks in advance!
The text was updated successfully, but these errors were encountered:
There have been multiple attempts that aims at integrating the virial and stress into nequip and allegro: nequip pull request, pair-allegro stress branch, etc. However, I haven't found a comprehensive tutorial to integrate virial and stress calculation with the allegro model yet. I understand that the stress feature is under development, but if I would like to test with the existing features, which branch should I use for nequip, allegro and pair-allegro? Thanks in advance!
The text was updated successfully, but these errors were encountered: