atomistics 0.1.27
jan-janssen
released this
25 Apr 14:13
·
399 commits
to main
since this release
What's Changed
- Set upper limit for Python version by @jan-janssen in #238
- Bump pylammpsmpi from 0.2.15 to 0.2.17 by @dependabot in #240
- Try converting to xml by @jan-janssen in #241
- Add new test on get_potential_dataframe() by @jan-janssen in #242
- Have a separate action to calculate coverage by @jan-janssen in #243
- Bump pylammpsmpi from 0.2.17 to 0.2.18 by @dependabot in #244
- Debug Quantum Espresso Test by @jan-janssen in #245
- Add simple test for symmerty by @jan-janssen in #246
- Create CODEOWNERS by @jan-janssen in #247
- Black formatting by @jan-janssen in #248
- Readme add syntax highlighting by @jan-janssen in #249
- Functional version of evcurve workflow by @jan-janssen in #250
- Test use assertAlmostEqual() by @jan-janssen in #251
- Fix defaults for the get_strains() function by @jan-janssen in #252
- Add helper functions for phonopy by @jan-janssen in #253
- Fix bug in thermal expansion by @jan-janssen in #254
Full Changelog: atomistics-0.1.26...atomistics-0.1.27