input_cp2k_dft.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	input_cp2k_dft
	function that build the dft section of the input

Functions/Subroutines
subroutine, public	input_cp2k_dft::create_dft_section (section)
	creates the dft section
subroutine, public	input_cp2k_dft::create_qs_section (section)
	creates the input section for the qs part
subroutine, public	input_cp2k_dft::create_ddapc_restraint_section (section, section_name)
	...
subroutine, public	input_cp2k_dft::create_scf_section (section)
	creates the structure of the section with the DFT SCF parameters
subroutine, public	input_cp2k_dft::create_bsse_section (section)
	Create the BSSE section for counterpoise correction.
subroutine, public	input_cp2k_dft::create_lrigpw_section (section)
	input section for optional parameters for LRIGPW LRI: local resolution of identity
subroutine, public	input_cp2k_dft::create_mgrid_section (section, create_subsections)
	creates the multigrid
subroutine, public	input_cp2k_dft::create_interp_section (section)
	creates the interpolation section