rel_control_types Module Reference

parameters that control a relativistic calculation More...

Data Types
type	rel_control_type
	contains the parameters needed by a relativistic calculation More...

Functions/Subroutines
subroutine, public	rel_c_create (rel_control)
	allocates and initializes an rel control object with the default values
subroutine, public	rel_c_release (rel_control)
	releases the given rel_control (see cp2k/doc/ReferenceCounting.html)
subroutine, public	rel_c_read_parameters (rel_control, dft_section)
	reads the parameters of the relativistic section into the given rel_control

Detailed Description

parameters that control a relativistic calculation

History

09.2002 created [fawzi] (as scf_control_types.F) 10.2008 modified for relativistic control types (Jens Thar)

Author

Fawzi Mohamed

Function/Subroutine Documentation

rel_c_create()

subroutine, public rel_control_types::rel_c_create

(

type(rel_control_type), intent(out)

rel_control

)

allocates and initializes an rel control object with the default values

Parameters

rel_control

the object to initialize

History

09.2002 created [fawzi] for scf_control_type 10.2008 copied to rel_control_type [JT]

Author

Fawzi Mohamed

Definition at line 74 of file rel_control_types.F.

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rel_c_release()

subroutine, public rel_control_types::rel_c_release

(

type(rel_control_type), intent(in)

rel_control

)

releases the given rel_control (see cp2k/doc/ReferenceCounting.html)

Parameters

rel_control

the object to free

History

09.2002 created [fawzi] for scf_control_type 10.2008 copied to rel_control_type [JT]

Author

Fawzi Mohamed

Note

at the moment does nothing

Definition at line 99 of file rel_control_types.F.

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rel_c_read_parameters()

subroutine, public rel_control_types::rel_c_read_parameters	(	type(rel_control_type), intent(inout)	rel_control,
		type(section_vals_type), pointer	dft_section
	)

reads the parameters of the relativistic section into the given rel_control

Parameters

rel_control	the object that wil contain the values read
dft_section	...

History

05.2001 created [Matthias] for scf_control_type 09.2002 created separated scf_control type [fawzi] 10.2008 copied to rel_control_type [JT]

Author

Matthias Krack

Definition at line 117 of file rel_control_types.F.

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