xcfun
2.1.1.1Exchange-correlation functionals with arbitrary-order derivatives
XCFun is a library of exchange-correlation (XC) functionals to be used in density-functional theory (DFT) codes. XCFun follows a unique implementation strategy which enables the computation of derivatives of the XC functional kernel up to arbitrary order. It does so by relying on forward-mode automatic differentiation.
Origin: science/xcfun
Category: science
Size: 13.2MiB
License: MPL20
Maintainer: yuri@FreeBSD.org
Dependencies: 0 packages
Required by: 2 packages
Website: xcfun.readthedocs.io/en/latest
$
pkg install xcfunRequired By (2 packages)
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