libXCFun: libXCFun (A library of exchange-correlation functionals) libXCFun: libXCFun: libXCFun: XCFun is a library of exchange-correlation (XC) functionals to be libXCFun: used in density-functional theory (DFT) codes. XCFun follows a unique libXCFun: implementation strategy which enables the computation of derivatives libXCFun: of the XC functional kernel up to arbitrary order. It does so by libXCFun: relying on forward-mode automatic differentiation. libXCFun: libXCFun: libXCFun: