input_cp2k_scf Module Reference

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

Functions/Subroutines
subroutine, public	create_scf_section (section)
	creates the structure of the section with the DFT SCF parameters
subroutine, public	create_cdft_control_section (section)
	Creates the input section for defining CDFT constraints.

Detailed Description

function that build the scf 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_scf_section()

subroutine, public input_cp2k_scf::create_scf_section

(

type(section_type), pointer

section

)

creates the structure of the section with the DFT SCF parameters

Parameters

section

will contain the SCF section

Author

fawzi

Definition at line 84 of file input_cp2k_scf.F.

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create_cdft_control_section()

subroutine, public input_cp2k_scf::create_cdft_control_section

(

type(section_type), pointer

section

)

Creates the input section for defining CDFT constraints.

Parameters

section

the section to create

Definition at line 1347 of file input_cp2k_scf.F.

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