| Metadata-Version: |
2.1 |
| Name: |
mp-pyrho |
| Version: |
0.4.4 |
| Summary: |
Tools for re-griding periodic volumetric quantum chemistry data for machine-learning purposes. |
| Author-Email: |
Jimmy-Xuan Shen <jmmshn[at]gmail.com> |
| Project-Url: |
homepage, https://materialsproject.github.io/pyrho/ |
| Project-Url: |
repository, https://materialsproject.github.io/pyrho |
| License: |
modified BSD |
| Keywords: |
machine-learning,dft,vasp,volumetric,pymatgen |
| Classifier: |
Programming Language :: Python :: 3.8 |
| Classifier: |
Programming Language :: Python :: 3.9 |
| Classifier: |
Programming Language :: Python :: 3.10 |
| Classifier: |
Development Status :: 4 - Beta |
| Classifier: |
Intended Audience :: Science/Research |
| Classifier: |
Intended Audience :: Information Technology |
| Classifier: |
Operating System :: OS Independent |
| Classifier: |
Topic :: Other/Nonlisted Topic |
| Classifier: |
Topic :: Scientific/Engineering |
| Requires-Python: |
>=3.8 |
| Requires-Dist: |
pymatgen (>=2023.9.21) |
| Requires-Dist: |
pre-commit (==3.6.2); extra == "dev" |
| Requires-Dist: |
numpydoc (==1.6.0); extra == "docs" |
| Requires-Dist: |
sphinx (==7.2.6); extra == "docs" |
| Requires-Dist: |
furo (==2024.1.29); extra == "docs" |
| Requires-Dist: |
m2r2 (==v0.3.3.post2); extra == "docs" |
| Requires-Dist: |
ipython (==8.4.0); extra == "docs" |
| Requires-Dist: |
nbsphinx (==0.8.9); extra == "docs" |
| Requires-Dist: |
nbsphinx-link (==1.3.0); extra == "docs" |
| Requires-Dist: |
sphinx-autodoc-typehints (==2.0.0); extra == "docs" |
| Requires-Dist: |
sphinx-autoapi (==3.0.0); extra == "docs" |
| Requires-Dist: |
pymatgen (==2024.2.20); extra == "strict" |
| Requires-Dist: |
pytest (==7.1.2); extra == "tests" |
| Requires-Dist: |
pytest-cov (==3.0.0); extra == "tests" |
| Requires-Dist: |
hypothesis (==6.98.10); extra == "tests" |
| Provides-Extra: |
dev |
| Provides-Extra: |
docs |
| Provides-Extra: |
strict |
| Provides-Extra: |
tests |
| Description-Content-Type: |
text/markdown |
| License-File: |
LICENSE |
| License-File: |
AUTHORS.md |