input_cp2k_qs Module Reference

function that build the QS section of the input More...

Functions/Subroutines
subroutine, public	create_qs_section (section)
	creates the input section for the qs part
subroutine, public	create_ddapc_restraint_section (section, section_name)
	...
subroutine, public	create_lrigpw_section (section)
	input section for optional parameters for LRIGPW LRI: local resolution of identity

Detailed Description

function that build the QS section of the input

History

10.2005 moved out of input_cp2k [fawzi] 07.2024 moved out of input_cp2k_dft [JGH]

Author

fawzi

Function/Subroutine Documentation

create_qs_section()

subroutine, public input_cp2k_qs::create_qs_section

(

type(section_type), pointer

section

)

creates the input section for the qs part

Parameters

section

the section to create

Author

teo

Definition at line 77 of file input_cp2k_qs.F.

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create_ddapc_restraint_section()

subroutine, public input_cp2k_qs::create_ddapc_restraint_section	(	type(section_type), pointer	section,
		character(len=*), intent(in)	section_name
	)

...

Parameters

section	...
section_name	...

Definition at line 589 of file input_cp2k_qs.F.

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create_lrigpw_section()

subroutine, public input_cp2k_qs::create_lrigpw_section

(

type(section_type), pointer

section

)

input section for optional parameters for LRIGPW LRI: local resolution of identity

Parameters

section

the section to create

Author

Dorothea Golze [02.2015]

Definition at line 702 of file input_cp2k_qs.F.

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