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_lda_info (libxc_params, reference, shortform, needs, max_deriv, print_warn)
	info about the functional from libxc
subroutine, public	xc_libxc::libxc_lsd_info (libxc_params, reference, shortform, needs, max_deriv, print_warn)
	info about the functional from libxc
subroutine, public	xc_libxc::libxc_version_info (version)
	info about the LibXC version
subroutine, public	xc_libxc::libxc_lda_eval (rho_set, deriv_set, grad_deriv, libxc_params)
	evaluates the functional from libxc
subroutine, public	xc_libxc::libxc_lsd_eval (rho_set, deriv_set, grad_deriv, libxc_params)
	evaluates the functional from libxc