cp_control_types Module Reference

Defines control structures, which contain the parameters and the settings for the DFT-based calculations. More...

Data Types
type	admm_control_type
type	ddapc_restraint_type
type	dft_control_type
type	dftb_control_type
type	efield_type
type	expot_control_type
type	gapw_control_type
type	maxwell_control_type
type	mulliken_restraint_type
type	proj_mo_type
type	qs_control_type
type	rtp_control_type
type	s2_restraint_type
type	sccs_control_type
type	semi_empirical_control_type
type	smeared_type
type	stda_control_type
type	tddfpt2_control_type
type	xtb_control_type

Functions/Subroutines
subroutine, public	ddapc_control_create (ddapc_restraint_control)
	create the ddapc_restraint_type
subroutine, public	dft_control_create (dft_control)
	allocates and perform a very basic initialization
subroutine, public	dft_control_release (dft_control)
	...
subroutine, public	admm_control_create (admm_control)
	...
subroutine, public	admm_control_release (admm_control)
	...
subroutine, public	expot_control_create (expot_control)
	...
subroutine, public	maxwell_control_create (maxwell_control)
	...

Detailed Description

Defines control structures, which contain the parameters and the settings for the DFT-based calculations.

Function/Subroutine Documentation

ddapc_control_create()

subroutine, public cp_control_types::ddapc_control_create

(

type(ddapc_restraint_type), intent(out)

ddapc_restraint_control

)

create the ddapc_restraint_type

Parameters

ddapc_restraint_control

...

History

02.2006 created [Joost VandeVondele]

Definition at line 708 of file cp_control_types.F.

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dft_control_create()

subroutine, public cp_control_types::dft_control_create

(

type(dft_control_type), intent(out)

dft_control

)

allocates and perform a very basic initialization

Parameters

dft_control

the object to create

History

02.2003 created [fawzi]

Author

fawzi

Definition at line 775 of file cp_control_types.F.

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dft_control_release()

subroutine, public cp_control_types::dft_control_release

(

type(dft_control_type), intent(inout)

dft_control

)

...

Parameters

dft_control

...

History

02.2003 created [fawzi]

Author

fawzi

Definition at line 804 of file cp_control_types.F.

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admm_control_create()

subroutine, public cp_control_types::admm_control_create

(

type(admm_control_type), pointer

admm_control

)

...

Parameters

admm_control

...

Definition at line 1102 of file cp_control_types.F.

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admm_control_release()

subroutine, public cp_control_types::admm_control_release

(

type(admm_control_type), pointer

admm_control

)

...

Parameters

admm_control

...

Definition at line 1114 of file cp_control_types.F.

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expot_control_create()

subroutine, public cp_control_types::expot_control_create

(

type(expot_control_type), pointer

expot_control

)

...

Parameters

expot_control

...

Definition at line 1126 of file cp_control_types.F.

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maxwell_control_create()

subroutine, public cp_control_types::maxwell_control_create

(

type(maxwell_control_type), pointer

maxwell_control

)

...

Parameters

maxwell_control

...

Definition at line 1155 of file cp_control_types.F.

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