input_cp2k_as Module Reference

function that build the active space section of the input More...

Functions/Subroutines
subroutine, public	create_active_space_section (section)
	Create CP2K input section for the calculation of an active space Hamiltonian.

Detailed Description

function that build the active space 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_active_space_section()

subroutine, public input_cp2k_as::create_active_space_section

(

type(section_type), pointer

section

)

Create CP2K input section for the calculation of an active space Hamiltonian.

Parameters

section

...

History:

• Creation 06.04.2016

Author

JHU

Definition at line 61 of file input_cp2k_as.F.

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