cp_control_utils Module Reference

Utilities to set up the control types. More...

Functions/Subroutines
subroutine, public	read_dft_control (dft_control, dft_section)
	...
subroutine, public	read_mgrid_section (qs_control, dft_section)
	...
subroutine, public	read_qs_section (qs_control, qs_section)
	...
subroutine, public	read_tddfpt2_control (t_control, t_section, qs_control)
	Read TDDFPT-related input parameters.
subroutine, public	write_dft_control (dft_control, dft_section)
	Write the DFT control parameters to the output unit.
subroutine, public	write_admm_control (admm_control, dft_section)
	Write the ADMM control parameters to the output unit.
subroutine, public	write_qs_control (qs_control, dft_section)
	Purpose: Write the QS control parameters to the output unit.
subroutine, public	read_ddapc_section (qs_control, qs_section, ddapc_restraint_section)
	reads the input parameters needed for ddapc.

Detailed Description

Utilities to set up the control types.

Function/Subroutine Documentation

read_dft_control()

subroutine, public cp_control_utils::read_dft_control	(	type(dft_control_type), pointer	dft_control,
		type(section_vals_type), pointer	dft_section
	)

...

Parameters

dft_control	...
dft_section	...

Definition at line 106 of file cp_control_utils.F.

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read_mgrid_section()

subroutine, public cp_control_utils::read_mgrid_section	(	type(qs_control_type), intent(inout)	qs_control,
		type(section_vals_type), pointer	dft_section
	)

...

Parameters

qs_control	...
dft_section	...

Definition at line 704 of file cp_control_utils.F.

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read_qs_section()

subroutine, public cp_control_utils::read_qs_section	(	type(qs_control_type), intent(inout)	qs_control,
		type(section_vals_type), pointer	qs_section
	)

...

Parameters

qs_control	...
qs_section	...

Definition at line 794 of file cp_control_utils.F.

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read_tddfpt2_control()

subroutine, public cp_control_utils::read_tddfpt2_control	(	type(tddfpt2_control_type), pointer	t_control,
		type(section_vals_type), pointer	t_section,
		type(qs_control_type), pointer	qs_control
	)

Read TDDFPT-related input parameters.

Parameters

t_control	TDDFPT control parameters
t_section	TDDFPT input section
qs_control	Quickstep control parameters

Definition at line 1601 of file cp_control_utils.F.

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write_dft_control()

subroutine, public cp_control_utils::write_dft_control	(	type(dft_control_type), pointer	dft_control,
		type(section_vals_type), pointer	dft_section
	)

Write the DFT control parameters to the output unit.

Parameters

dft_control	...
dft_section	...

Definition at line 1828 of file cp_control_utils.F.

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write_admm_control()

subroutine, public cp_control_utils::write_admm_control	(	type(admm_control_type), pointer	admm_control,
		type(section_vals_type), pointer	dft_section
	)

Write the ADMM control parameters to the output unit.

Parameters

admm_control	...
dft_section	...

Definition at line 2088 of file cp_control_utils.F.

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write_qs_control()

subroutine, public cp_control_utils::write_qs_control	(	type(qs_control_type), intent(in)	qs_control,
		type(section_vals_type), pointer	dft_section
	)

Purpose: Write the QS control parameters to the output unit.

Parameters

qs_control	...
dft_section	...

Definition at line 2271 of file cp_control_utils.F.

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read_ddapc_section()

subroutine, public cp_control_utils::read_ddapc_section	(	type(qs_control_type), intent(inout)	qs_control,
		type(section_vals_type), optional, pointer	qs_section,
		type(section_vals_type), optional, pointer	ddapc_restraint_section
	)

reads the input parameters needed for ddapc.

Parameters

qs_control	...
qs_section	...
ddapc_restraint_section	...

Author

fschiff

Note

either reads DFTQSDDAPC_RESTRAINT or PROPERTIESET_coupling if(qs_section is present the DFT part is read, if ddapc_restraint_section is present ET_COUPLING is read. Avoid having both!!!

Definition at line 2516 of file cp_control_utils.F.

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