Mlipx

Latest version: v0.1.3

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0.1.3

🚀 New Features
- added recipe for comparing adsorption energies (https://mlipx.readthedocs.io/en/latest/recipes/adsorption.html) by efako

What's Changed
* Update pyproject.toml by PythonFZ in https://github.com/basf/mlipx/pull/28
* Update README.md by PythonFZ in https://github.com/basf/mlipx/pull/29
* Update pyproject.toml by PythonFZ in https://github.com/basf/mlipx/pull/30
* plugin support via entry points by PythonFZ in https://github.com/basf/mlipx/pull/31
* save ref forces when comparing by PythonFZ in https://github.com/basf/mlipx/pull/32
* Doc update by sandipde in https://github.com/basf/mlipx/pull/35
* update line colors to grey, do not show plotly in notebooks by PythonFZ in https://github.com/basf/mlipx/pull/36
* HowTo setup ZnDraw by PythonFZ in https://github.com/basf/mlipx/pull/38
* add `mattersim` by PythonFZ in https://github.com/basf/mlipx/pull/37
* fix `mattersim` url by PythonFZ in https://github.com/basf/mlipx/pull/40
* create ads files by efako in https://github.com/basf/mlipx/pull/34
* add adsorption energy to docs by PythonFZ in https://github.com/basf/mlipx/pull/42

New Contributors
* sandipde made their first contribution in https://github.com/basf/mlipx/pull/35
* efako made their first contribution in https://github.com/basf/mlipx/pull/34

**Full Changelog**: https://github.com/basf/mlipx/compare/v0.1.2...v0.1.3

0.1.2

What's Changed
* quickstart by PythonFZ in https://github.com/basf/mlipx/pull/9
* update docs by PythonFZ in https://github.com/basf/mlipx/pull/10
* Update-readme by PythonFZ in https://github.com/basf/mlipx/pull/12
* update E/V curve by PythonFZ in https://github.com/basf/mlipx/pull/13
* update dependencies, update README by PythonFZ in https://github.com/basf/mlipx/pull/14
* Update Documentation by PythonFZ in https://github.com/basf/mlipx/pull/16
* update docs by PythonFZ in https://github.com/basf/mlipx/pull/17
* Vibrations update by PythonFZ in https://github.com/basf/mlipx/pull/15
* Update Phase and Pourbaix diagram by PythonFZ in https://github.com/basf/mlipx/pull/19
* update docs by PythonFZ in https://github.com/basf/mlipx/pull/18
* Pourbaix-fix by PythonFZ in https://github.com/basf/mlipx/pull/20
* update README by PythonFZ in https://github.com/basf/mlipx/pull/21
* Metrics Documentation by PythonFZ in https://github.com/basf/mlipx/pull/22
* Docs-quickfix by PythonFZ in https://github.com/basf/mlipx/pull/23
* fix rtd by PythonFZ in https://github.com/basf/mlipx/pull/24
* fix make file, add README, add CI check by PythonFZ in https://github.com/basf/mlipx/pull/25
* Update README.md by PythonFZ in https://github.com/basf/mlipx/pull/26
* add main / models.py to docs by PythonFZ in https://github.com/basf/mlipx/pull/27


**Full Changelog**: https://github.com/basf/mlipx/compare/v0.1.1...v0.1.2

0.1.1

What's Changed
* add `StructureOptimization` by PythonFZ in https://github.com/basf/mlipx/pull/2
* add CLI by PythonFZ in https://github.com/basf/mlipx/pull/3
* File IO by PythonFZ in https://github.com/basf/mlipx/pull/4
* mlipx v0.1.1 by PythonFZ in https://github.com/basf/mlipx/pull/7
* update docs by PythonFZ in https://github.com/basf/mlipx/pull/8


**Full Changelog**: https://github.com/basf/mlipx/compare/v0.1.0...v0.1.1

0.1.0

What's Changed
* Initial Package Draft by PythonFZ in https://github.com/basf/mlipx/pull/1

New Contributors
* PythonFZ made their first contribution in https://github.com/basf/mlipx/pull/1

**Full Changelog**: https://github.com/basf/mlipx/commits/v0.1.0

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