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XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

Home Page: https://dftlibs.org/xcfun/

License: Mozilla Public License 2.0

Shell 0.09% C++ 70.00% Python 15.02% C 4.41% Fortran 3.50% CMake 6.98%

xcfun's Introduction

Build and test XCFun Build Status GitHub license DOI

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

Copyright Ulf Ekström and contributors 2009-2020.

License

XCFun is licensed under version 2.0 of the Mozilla Public License (MPLv2.0), see LICENSE.md.

Documentation

The documentation is available at https://xcfun.readthedocs.io.

XCFun can be installed with popular package managers:

xcfun's People

Contributors

uekstrom avatar robertodr avatar bast avatar chjacob-tubs avatar simensr avatar aspgomes avatar stigrj avatar sarahrei avatar ajborgoo avatar susilehtola avatar danielhfriese avatar ilfreddy avatar jfurness1 avatar andhessel avatar q-posev avatar juselius avatar miroi avatar yurivict avatar erebolini avatar sarahr avatar

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