There is a newer version of the record available.

Published February 7, 2023 | Version v0.3.1
Software Open

CederGroupHub/smol: v0.3.1

Creators

  • 1. Berkeley Lab
  • 2. Lawrence Berkeley National Laboratory

Description

Changed

  • Save ensemble as attributed in SampleContainer add get_sampled_structures. #326 @lbluque ### Fixed
  • ClusterExpansion.cluster_interaction_tensors as a cached property and reset when pruning. #330 @lbluque
  • Fix flakey unit tests. #328 @lbluque & @qchempku2017

Files

CederGroupHub/smol-v0.3.1.zip

Files (10.0 MB)

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md5:7df523f1aeb67273d146150108cea978
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Additional details

Related works

Is supplement to
https://github.com/CederGroupHub/smol/tree/v0.3.1 (URL)