qimpy.dft.electrons.xc.functional

Internal interface for XC functionals.

Module Attributes

LIBXC_AVAILABLE

Whether Libxc is available.

Functions

get_libxc_functional_names

Get set of available Libxc functionals.

Classes

Functional

Base class for exchange-correlation functional components.

FunctionalsLibxc

Evaluate one or more functionals from Libxc together.