v0.84.7
What's Changed
- New trajectory class with parquet rountrip functionality by @esoteric-ephemera in #1206
- add transport-analysis as optional dependency to emmet-core by @tsmathis in #1219
- Tweak potcar validation by @esoteric-ephemera in #1220
- Automated dependency upgrades by @tschaume in #1218
- Define machine learning / MatPES schemas by @esoteric-ephemera in #1222
- Automated dependency upgrades by @tschaume in #1221
- Update VASP file discovery by @esoteric-ephemera in #1223
- Automated dependency upgrades by @tschaume in #1224
- updates to use FileMetadata in discovery (and add lazy md5 calculation) by @kbuma in #1228
- Bump codecov/codecov-action from 5.4.0 to 5.4.2 by @dependabot in #1225
- Bump codecov/codecov-action from 5.4.2 to 5.4.3 by @dependabot in #1233
- Automated dependency upgrades by @tschaume in #1227
- Automated dependency upgrades by @tschaume in #1235
- [WIP] Update phonon schema by @esoteric-ephemera in #1231
- Automated dependency upgrades by @tschaume in #1236
- fix ci issues from mypy version bump by @esoteric-ephemera in #1237
- Automated dependency upgrades by @tschaume in #1238
- fix phonon test typos by @esoteric-ephemera in #1239
- Expand phonon schema to intake CompletePhononDos by @esoteric-ephemera in #1240
- Automated dependency upgrades by @tschaume in #1241
- make all datetime factories consistent to use utcnow func in utils by @tsmathis in #1245
- Automated dependency upgrades by @tschaume in #1247
New Contributors
Full Changelog: v0.84.6...v0.84.7