Accumulated changes from dev since Jan. 25.
#114
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Contributor
M-R-Schaefer
commented
Mar 22, 2023
M-R-Schaefer
commented
- renamed project to apax
- Docs outline
- training on variable cell sizes
- training on variable system sizes
- switched from haiku model to flax model
- fixed MD stability inconsistency
- transfer learning
with fractional coordinates
input always have an box box for gasphase [0,0,0] only n_space dimensional box can be feed in all periodic structures are transformed into the unit cube
Remove Haiku
bumped np version, updated email, added keywords
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