Matgl

Latest version: v1.1.3

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0.8.0

* Fix a bug with use of set2set in M3Gnet implementation that affected intensive models such as the formation energy
model. M3GNet model version is updated to 2 to invalidate previous models. Note that PES models are unaffected.
(kenko911)

0.7.1

* Minor optimizations for memory and isolated atom training (kenko911)

0.7.0

* MatGL now supports structures with isolated atoms. (JiQi535)
* Fourier expansion layer and generalize cutoff polynomial. (lbluque)
* Radial bessel (zeroth order bessel). (lbluque)

0.6.2

* Simple CLI tool `mgl` added.

0.6.1

* Bug fix for training loss_fn.

0.6.0

* Refactoring of training utilities. Added example for training an M3GNet potential.

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