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v0.1.7

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@lwalew lwalew released this 12 Dec 09:33
· 5 commits to main since this release
v0.1.7
b09df44

This version includes the following changes:

  • Fixing issues with Periodic Boundary Conditions (PBCs) during inference.
  • Supporting PBCs passed from ase.Atoms during simulation with the ASE engine. Passing an orthorhombic box from configuration is still supported in both simulation engines, but might become discouraged in future releases.
  • Fixing a few bugs related to batched simulations occurring in cases of reallocation of neighbor lists.
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