Releases: oerc0122/castep_outputs
Releases · oerc0122/castep_outputs
v0.1.8
What's Changed
- Fix type hints by @oerc0122 in #118
- Update pylint.yml by @oerc0122 in #126
- Normalise dict keys for easier processing by @oerc0122 in #125
- Make filters a
Flag
Enum to allow combinations by @oerc0122 in #119 - Add
TypedDict
s to describe data returned from parsing methods by @oerc0122 in #124 - Major Code refactor by @oerc0122 in #116
- Fix gen_data following refactor by @oerc0122 in #134
- added functionality for reading .phonon files by @theloanerkit in #133
- Sort phonon parsing pylint to avoid other issues by @oerc0122 in #143
- Fix parsing of bands file header by @oerc0122 in #144
- Fix per-species capture in phonon dos by @oerc0122 in #145
- Rewrite get_block to return oop style block by @oerc0122 in #151
- Update readme to reflect complete state by @oerc0122 in #154
- Update test_castep_outputs.yml by @oerc0122 in #165
- Add ruff and fix initial issues by @oerc0122 in #159
- Fix annotations through Ruff by @oerc0122 in #163
- Sort imports with ruff isort by @oerc0122 in #161
- Standardise quotes with ruff by @oerc0122 in #162
- Fix returns and anonymous bools by @oerc0122 in #160
- Docstrings by @oerc0122 in #146
- Fix API doc build issue by @oerc0122 in #171
- Add comment stripping and apply when parsing cell/param files by @oerc0122 in #173
- Add autodoc typehints; enable ruff pydocstyle by @oerc0122 in #170
- Cleanup SCF debug info by @oerc0122 in #123
- Fix some miscellaneous issues breaking expectations/tests by @oerc0122 in #177
- Update readme to be more accurate and link to docs by @oerc0122 in #175
- Fix issue with MD missing step 0 and capturing memory estimate by @oerc0122 in #127
- Rename REs by @oerc0122 in #181
- Change md/geom parsing to frame function for easier use. by @oerc0122 in #176