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

README.md

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:

About

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

dftlibs.org/xcfun/

Topics

dft automatic-differentiation exchange-correlation-functionals

Resources

Readme

License

MPL-2.0 license

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50 stars

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Releases 12

XCFun v2.1.1 Latest
Nov 12, 2020
+ 11 releases

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Contributors 20

+ 9 contributors

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