There is a newer version of the record available.

Published November 19, 2023 | Version v0.3.2
Software Open

CederGroupHub/chgnet: v0.3.2

Creators

  • 1. Cambridge University
  • 2. University of California, Berkeley
  • 3. Berkeley Lab
  • 4. HKU / HKQAI
  • 5. Princeton University

Description

Changes

  • Link to Video tutorial @BowenD-UCB
  • Allow setting MD start temperature @BowenD-UCB
  • Fixed bug triggerred by dtype @janosh in https://github.com/CederGroupHub/chgnet/pull/95

Full Changelog: https://github.com/CederGroupHub/chgnet/compare/V0.3.1...v0.3.2

Files

CederGroupHub/chgnet-v0.3.2.zip

Files (9.0 MB)

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md5:d7551e994874e7cc9423ea7a6f77a904
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Additional details

Related works

Is supplement to
Software: https://github.com/CederGroupHub/chgnet/tree/v0.3.2 (URL)