xc_libxc.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	xc_libxc
	calculates a functional from libxc and its derivatives

Functions/Subroutines
logical function, public	xc_libxc::libxc_check_existence_in_libxc (libxc_params)
	This function checks whether a functional name belongs to LibXC.
integer function, public	xc_libxc::libxc_get_reference_length (libxc_params, lsd)
	This function returns the maximum length of the reference string for a given LibXC functional.
subroutine, public	xc_libxc::libxc_add_sections (section)
	...
subroutine, public	xc_libxc::libxc_spin_unpolarized_info (libxc_params, reference, shortform, needs, max_deriv, print_warn, func_name_override)
	info about the functional from libxc
subroutine, public	xc_libxc::libxc_spin_polarized_info (libxc_params, reference, shortform, needs, max_deriv, print_warn, func_name_override)
	info about the functional from libxc
subroutine, public	xc_libxc::libxc_version_info (version, compiled_version)
	info about the LibXC version
subroutine, public	xc_libxc::libxc_library_reference (reference, doi)
	Returns the citation LibXC asks for the library itself.
subroutine, public	xc_libxc::libxc_release_workers ()
	Reads the external parameters of a LibXC functional from its input section.
subroutine, public	xc_libxc::libxc_spin_unpolarized_eval (rho_set, deriv_set, grad_deriv, libxc_params, func_name_override)
	evaluates the functional from libxc
subroutine, public	xc_libxc::libxc_spin_polarized_eval (rho_set, deriv_set, grad_deriv, libxc_params, func_name_override)
	evaluates the functional from libxc