cp_control_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	cp_control_types::proj_mo_type
type	cp_control_types::rtp_control_type
type	cp_control_types::dftb_control_type
type	cp_control_types::xtb_control_type
type	cp_control_types::semi_empirical_control_type
type	cp_control_types::gapw_control_type
type	cp_control_types::efield_type
type	cp_control_types::mulliken_restraint_type
type	cp_control_types::ddapc_restraint_type
type	cp_control_types::s2_restraint_type
type	cp_control_types::admm_control_type
type	cp_control_types::expot_control_type
type	cp_control_types::maxwell_control_type
type	cp_control_types::qs_control_type
type	cp_control_types::sccs_control_type
type	cp_control_types::stda_control_type
type	cp_control_types::smeared_type
type	cp_control_types::tddfpt2_control_type
type	cp_control_types::dft_control_type

Modules
module	cp_control_types
	Defines control structures, which contain the parameters and the settings for the DFT-based calculations.

Functions/Subroutines
subroutine, public	cp_control_types::ddapc_control_create (ddapc_restraint_control)
	create the ddapc_restraint_type
subroutine, public	cp_control_types::dft_control_create (dft_control)
	allocates and perform a very basic initialization
subroutine, public	cp_control_types::dft_control_release (dft_control)
	...
subroutine, public	cp_control_types::admm_control_create (admm_control)
	...
subroutine, public	cp_control_types::admm_control_release (admm_control)
	...
subroutine, public	cp_control_types::expot_control_create (expot_control)
	...
subroutine, public	cp_control_types::maxwell_control_create (maxwell_control)
	...