v1.0.0

JFRudzinski released this 19 Sep 07:47

· 6 commits to develop since this release

fb06666

Initial Release

What's Changed

Adding testing by @JosePizarro3 in #1
Energy diffs extraction by @JosePizarro3 in #2
Redefinition NEB workflow by @JosePizarro3 in #6
Adding plots by @hampusnasstrom in #9
Add path calculation and Fit to NEB plot by @schumannj in #11
pypi workflow, fixed ghpages workflow, adjusted pyproject.toml by @JFRudzinski in #13

New Contributors

@JosePizarro3 made their first contribution in #1
@hampusnasstrom made their first contribution in #9
@schumannj made their first contribution in #11
@JFRudzinski made their first contribution in #13

Full Changelog: https://github.com/FAIRmat-NFDI/nomad-neb-workflows/commits/v1.0.0

Contributors

JFRudzinski, hampusnasstrom, and 2 other contributors

Assets 2