xc_gauxc_functional.F File Reference

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

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Modules
module	xc_gauxc_functional

Functions/Subroutines
logical function, public	xc_gauxc_functional::gauxc_gapw_all_all_electron (qs_kind_set)
	Return whether every GAPW kind uses an all-electron potential.
logical function, public	xc_gauxc_functional::xc_section_uses_gauxc (xc_section)
	...
logical function, public	xc_gauxc_functional::gauxc_gapw_has_pseudopotentials (qs_kind_set)
	Return whether GauXC GAPW mode sees pseudopotential kinds.
logical function, public	xc_gauxc_functional::gauxc_gapw_all_pseudopotentials (qs_kind_set)
	Return whether every GAPW kind uses a pseudopotential.
logical function, public	xc_gauxc_functional::gauxc_gapw_has_paw_pseudopotentials (qs_kind_set)
	Return whether GauXC GAPW mode sees pseudopotential one-center GAPW kinds.
subroutine, public	xc_gauxc_functional::skala_info (functional, lsd, reference, shortform, needs, max_deriv)
	Return information about the Skala functional.
subroutine, public	xc_gauxc_functional::apply_gauxc (qs_env, xc_section, calculate_forces)
	...