qs_cdft_types Module Reference

Defines CDFT control structures. More...

Data Types
type	becke_constraint_type
type	cdft_control_type
type	cdft_group_type
	control parameters for CDFT simulations More...
type	hirshfeld_constraint_type

Functions/Subroutines
subroutine, public	cdft_control_create (cdft_control)
	create the cdft_control_type
subroutine, public	cdft_control_release (cdft_control)
	release the cdft_control_type

Detailed Description

Defines CDFT control structures.

History

separated from cp_control_types [03.2017]

Author

Nico Holmberg [03.2017]

Function/Subroutine Documentation

cdft_control_create()

subroutine, public qs_cdft_types::cdft_control_create

(

type(cdft_control_type), intent(out)

cdft_control

)

create the cdft_control_type

Parameters

cdft_control

the structure to create

History

12.2015 created [Nico Holmberg]

Definition at line 352 of file qs_cdft_types.F.

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cdft_control_release()

subroutine, public qs_cdft_types::cdft_control_release

(

type(cdft_control_type), intent(inout)

cdft_control

)

release the cdft_control_type

Parameters

cdft_control

the structure to release

History

12.2015 created [Nico Holmberg]

Definition at line 432 of file qs_cdft_types.F.

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