Metadata-Version: 2.1
Name: compare_geoms
Version: 0.0.1
Summary: This package compares a list of molecular geometries to the geometries in large datasets.
Author-email: Anup Kumar <kumaranu@lbl.gov>
License: BSD-3
Keywords: sella,transition1x
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Requires-Python: <3.13,>=3.9
Description-Content-Type: text/markdown
License-File: LICENSE.md
Requires-Dist: numpy
Requires-Dist: pymatgen
Provides-Extra: dev
Requires-Dist: black>=23.7.0; extra == "dev"
Requires-Dist: docformatter>=1.7.5; extra == "dev"
Requires-Dist: isort>=5.12.0; extra == "dev"
Requires-Dist: pytest>=7.4.0; extra == "dev"
Requires-Dist: pytest-cov>=3.0.0; extra == "dev"
Requires-Dist: ruff>=0.0.285; extra == "dev"
Provides-Extra: docs
Requires-Dist: mkdocs-material>=9.4.0; extra == "docs"
Requires-Dist: mkdocstrings[python]>=0.22.0; extra == "docs"
Requires-Dist: mkdocs-gen-files>=0.5.0; extra == "docs"
Requires-Dist: mkdocs-literate-nav>=0.6.0; extra == "docs"
Requires-Dist: pillow>=10.0.0; extra == "docs"
Requires-Dist: cairosvg>=2.7.1; extra == "docs"

# compare_geoms

A simple-to-use resource for generating open-source Python packages.
