mixed_cdft_types.F File Reference

#include "./base/base_uses.f90"

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Data Types
type	mixed_cdft_types::mixed_cdft_type
	Main mixed CDFT control type. More...
type	mixed_cdft_types::mixed_cdft_settings_type
	Container for constraint settings to check consistency of force_evals. More...

Modules
module	mixed_cdft_types
	Types for mixed CDFT calculations.

Functions/Subroutines
subroutine, public	mixed_cdft_types::mixed_cdft_type_create (cdft_control)
	inits the given mixed_cdft_type
subroutine, public	mixed_cdft_types::mixed_cdft_type_release (cdft_control)
	releases the given mixed_cdft_type
subroutine, public	mixed_cdft_types::mixed_cdft_result_type_set (results, lowdin, wfn, nonortho, metric, rotation, h, s, wad, wda, w_diagonal, energy, strength, s_minushalf)
	Updates arrays within the mixed CDFT result container.
subroutine, public	mixed_cdft_types::mixed_cdft_result_type_release (results)
	Releases all arrays within the mixed CDFT result container.
subroutine, public	mixed_cdft_types::mixed_cdft_work_type_init (matrix)
	Initializes the mixed_cdft_work_type.
subroutine, public	mixed_cdft_types::mixed_cdft_work_type_release (matrix)
	Releases arrays within the mixed CDFT work matrix container.