# HOW TO EDIT THIS FILE: # The "handy ruler" below makes it easier to edit a package description. # Line up the first '|' above the ':' following the base package name, and # the '|' on the right side marks the last column you can put a character in. # You must make exactly 11 lines for the formatting to be correct. It's also # customary to leave one space after the ':' except on otherwise blank lines. |-----handy-ruler------------------------------------------------------| 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: