mirror of
https://github.com/Ponce/slackbuilds
synced 2024-11-22 19:44:21 +01:00
|
…
|
||
|---|---|---|
| .. | ||
| 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.