v1.0.0

What's Changed

Refactors

• Update the method to load checkpoints by @yanghan234 in #25
• Change the location of checkpoints by @yanghan234 in #54
• Update MatterSimCalculator and Potential by @ZeroKnighting in #37

Fixes

• Restore DeepCalculator for compatibility by @yanghan234 in #29
• Missing device argument for CPU by @yanghan234 in #30
• Non-PBC handle by @ZeroKnighting in #50
• Cell detection for zero lattice length by @ZeroKnighting in #53
• Potential load method by @ZeroKnighting in #64

Documentation

• Update installation instructions by @yanghan234 in #27
• Update documentation by @yanghan234 in #31
• Update README.md multiple times by @yanghan234 in #32, #38, #40, #42, #45
• Update docs and fix bugs by @yanghan234 in #35
• Add information on changing checkpoints by @yanghan234 in #39
• Mention AQE in docs by @yanghan234 in #58
• Update picture by @ZeroKnighting in #34

Build and CI

• Clean up environment.yaml and reorganize pyproject.toml by @yanghan234 in #28
• Create python-publish.yml by @yanghan234 in #33
• Update python-publish.yaml to build sdist by @yanghan234 in #43
• Update python-publish.yaml and not build sdist by @yanghan234 in #44
• Only deploy pages on push and not pull request by @awvwgk in #47
• Export version information for setuptools_scm in git archives by @awvwgk in #46
• Update build CI to incorporate multiple OS and multiple Python versions by @yanghan234 in #55
• Fix version label for sdist by @yanghan234 in #56

Cleanup

• Clean calculator by @ZeroKnighting in #26

New Contributors

• @ZeroKnighting made their first contribution in #26
• @awvwgk made their first contribution in #47

Full Changelog: v1.0.0-rc1...v1.0.0