BSD Ports

science/xcfun 2.1.1.1 DragonFly

Exchange-correlation functionals with arbitrary-order derivatives

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
MPL20
Categories
science
Package size
2388.6 KiB, 12232.8 KiB installed

Description

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.

In the other systems

SystemPortVersion
DragonFlyscience/xcfun2.1.1.1
FreeBSDscience/xcfun2.1.1.1

Install

Binary package:

pkg install xcfun

From DPorts:

cd /usr/dports/science/xcfun && make install clean

Dependencies