v1.0.1rc1

What's Changed

• fix: cutoff auto detect in calculate by @ZeroKnighting in #62
• Remove emmet-core down-pin causing ecosystem clash by @janosh in #61

New Contributors

• @janosh made their first contribution in #61

Full Changelog: v1.0.0...v1.0.1rc1

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

v1.0.0-rc10

What's Changed

• doc: mention AQE in docs by @yanghan234 in #58
• fix: Potential load method by @ZeroKnighting in #64

Full Changelog: v1.0.0-rc9...v1.0.0-rc10

v1.0.0-rc9

What's Changed

• 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
• fix: non-pbc handle by @ZeroKnighting in #50
• fix: cell dectection for zero lattice length by @ZeroKnighting in #53
• refactor: change the location of checkpoints by @yanghan234 in #54
• ci: update build ci to incorporate multiple os and multiple python versions by @yanghan234 in #55
• ci: fix version label for sdist by @yanghan234 in #56
• doc: update Readme by @yanghan234 in #57

New Contributors

• @awvwgk made their first contribution in #47

Full Changelog: v1.0.0-rc8...v1.0.0-rc9

v1.0.0-rc8

What's Changed

• doc: Update README.md by @yanghan234 in #45

Full Changelog: v1.0.0-rc7...v1.0.0-rc8

v1.0.0-rc7

What's Changed

• ci: Update python-publish.yaml to build sdist by @yanghan234 in #43
• Update python-publish.yaml and not build sdist by @yanghan234 in #44

Full Changelog: v1.0.0-rc6...v1.0.0-rc7

v1.0.0-rc6

What's Changed

• doc: update docs and fix bugs by @yanghan234 in #35
• refactor: update MatterSimCalculator and Potential by @ZeroKnighting in #37
• doc: Update README.md by @yanghan234 in #38
• doc: add information on changing checkpoints by @yanghan234 in #39
• doc: Update README.md by @yanghan234 in #40
• doc: update documentations by @yanghan234 in #41
• doc: Update README.md by @yanghan234 in #42

Full Changelog: v1.0.0-rc5...v1.0.0-rc6

v1.0.0-rc5

What's Changed

• doc: update documentation by @yanghan234 in #31
• doc: Update README.md by @yanghan234 in #32
• update picture by @ZeroKnighting in #34
• ci: Create python-publish.yml by @yanghan234 in #33

Full Changelog: v1.0.0-rc4...v1.0.0-rc5

v1.0.0-rc4

What's Changed

• fix: missing device argument for cpu by @yanghan234 in #30

Full Changelog: v1.0.0-rc3...v1.0.0-rc4

v1.0.0-rc3

What's Changed

• Doc: update installation instruction by @yanghan234 in #27
• build: clean up environment.yaml and reorganize pyproject.toml by @yanghan234 in #28
• fix: restore DeepCalculator for compatibility by @yanghan234 in #29

Full Changelog: v1.0.0-rc2...v1.0.0-rc3