pyiron_atomistics 0.3.8
·
1523 commits
to main
since this release
What's Changed
- Bump scipy from 1.11.3 to 1.11.4 by @dependabot in #1216
- Bump numpy from 1.26.0 to 1.26.2 by @dependabot in #1204
- Bump structuretoolkit from 0.0.12 to 0.0.14 by @dependabot in #1221
- Bump mp-api from 0.37.5 to 0.39.0 by @dependabot in #1219
- Spx log parser by @samwaseda in #1222
- SPHInX: Separate other output parsers by @samwaseda in #1223
- Correctly scale output from phonopy jobs in QuasiHarmonic by @pmrv in #1196
- [minor] Set
cwd
toNone
by default by @samwaseda in #1225 - Return dictionary for SPHInX log parser to be a full parser by @samwaseda in #1229
- [minor] Use more solid condition for a more stable parsing by @samwaseda in #1231
- Update structuretoolkit, atomistics and pylammpsmpi by @jan-janssen in #1235
Full Changelog: pyiron_atomistics-0.3.7...pyiron_atomistics-0.3.8