v0.5.4
版本发布时间: 2024-08-17 07:46:01
CederGroupHub/smol最新发布版本:v0.5.5(2024-08-28 07:17:51)
What's Changed
🎉 New Features
- Develop tools to diagnose MC convergence by @kamronald in https://github.com/CederGroupHub/smol/pull/444
🤷♂️ Other Changes
- Update evaluation of sampling efficiency in SampleContainer by @kamronald in https://github.com/CederGroupHub/smol/pull/443
- Make latest version of h5py as a dependency by @kamronald in https://github.com/CederGroupHub/smol/pull/445
- Fix cluster unit tests by @lbluque in https://github.com/CederGroupHub/smol/pull/474
- Pin numpy < 2 by @lbluque in https://github.com/CederGroupHub/smol/pull/479
- Update creation of Cluster instances by @kamronald in https://github.com/CederGroupHub/smol/pull/485
Full Changelog: https://github.com/CederGroupHub/smol/compare/v0.5.3...v0.5.4