mixed_cdft_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

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 More...
subroutine, public	mixed_cdft_types::mixed_cdft_type_release (cdft_control)
	releases the given mixed_cdft_type More...
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. More...
subroutine, public	mixed_cdft_types::mixed_cdft_result_type_release (results)
	Releases all arrays within the mixed CDFT result container. More...
subroutine, public	mixed_cdft_types::mixed_cdft_work_type_init (matrix)
	Initializes the mixed_cdft_work_type. More...
subroutine, public	mixed_cdft_types::mixed_cdft_work_type_release (matrix)
	Releases arrays within the mixed CDFT work matrix container. More...