Metadata-Version: 2.4
Name: feffdb
Version: 0.1
Summary: Sqlite Database for Feff.dat files, especially for 1st shell EXAFS
Author-email: Matthew Newville <matt.newville@gmail.com>
License-Expression: MIT
Project-URL: Homepage, https://github.com/xraypy/feffdb
Project-URL: Documentation, https://xraypy.github.io/feffdb
Project-URL: Tracker, https://github.com/xraypy/feffdb/issues
Keywords: Feff,EXAFS
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Developers
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: POSIX
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Programming Language :: Python :: 3.15
Requires-Python: >=3.11
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: xraydb
Requires-Dist: numpy>=2.2
Requires-Dist: scipy
Requires-Dist: charset_normalizer
Requires-Dist: sqlalchemy>=2
Requires-Dist: pymatgen>=2025.6.14
Requires-Dist: pyshortcuts>=1.9.8
Requires-Dist: tabulate
Provides-Extra: dev
Requires-Dist: build; extra == "dev"
Requires-Dist: twine; extra == "dev"
Provides-Extra: doc
Requires-Dist: sphinx; extra == "doc"
Requires-Dist: sphinx-copybutton; extra == "doc"
Requires-Dist: sphinx-design; extra == "doc"
Requires-Dist: sphinxcontrib-video; extra == "doc"
Requires-Dist: jupyter_sphinx; extra == "doc"
Requires-Dist: nbsphinx; extra == "doc"
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Requires-Dist: pytest-cov; extra == "test"
Requires-Dist: coverage; extra == "test"
Provides-Extra: all
Requires-Dist: feffdb[dev,doc,test]; extra == "all"
Dynamic: license-file

# FeffDB

Feff DB is an SQLite3 database and Python library for the results of
Feff EXAFS calculations, and some support code to read and work with
this database and the data it contains.  The initial motivation is to
provide "first-shell EXAFS" calculations for many common ligands or
atom pairs, so that these can be browsed and re-used without having to
setup and run Feff for many common cases.
