slackbuilds_ponce/libraries/libXCFun
William PC 917b97219a
libraries/libXCFun: Added (exchange-correlation functionals library)
Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
2022-10-08 09:12:43 +07:00
..
libXCFun.info
libXCFun.SlackBuild
README
slack-desc

  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.