atomistics 0.1.15
What's Changed
- Docs: Update axis of thermal expansion plot by @jan-janssen in #120
- Quasiharmonic Approximation: Use the same size of supercell for both the energy volume curve and the phonon calculation by @jan-janssen in #119
- Define quantities only once by @jan-janssen in #118
- Merge main by @jan-janssen in #122
- Bump pandas from 2.1.3 to 2.1.4 by @dependabot in #125
- Bump spglib from 2.1.0 to 2.2.0 by @dependabot in #126
- Refactor output classes by @liamhuber in #127
- Run select tests on all PRs, not just those to main by @liamhuber in #128
- Separate module for output classes by @jan-janssen in #123
- With a dataclass by @liamhuber in #121
Full Changelog: atomistics-0.1.14...atomistics-0.1.15