input_cp2k_thermostats Module Reference

Functions/Subroutines
subroutine, public	create_thermo_slow_section (section, coupled_thermostat)
	Specifies parameter for thermostat for constant temperature ensembles.
subroutine, public	create_thermo_fast_section (section, coupled_thermostat)
	Specifies parameter for thermostat for constant temperature ensembles.
subroutine, public	create_thermostat_section (section, coupled_thermostat)
	Specifies parameter for thermostat for constant temperature ensembles.
subroutine, public	create_region_section (section, label)
	Creates a section to arbitrary define a region to thermostat.
subroutine, public	create_gle_section (section)
	...
subroutine, public	create_mass_section (section, name)
	Creates the mass section.
subroutine, public	create_velocity_section (section, name)
	Creates the velocity section.
subroutine, public	create_coord_section (section, name)
	Creates the coord section.

Detailed Description

History

10.2005 split input_cp2k into smaller modules [fawzi]

Author

teo & fawzi

Function/Subroutine Documentation

create_thermo_slow_section()

subroutine, public input_cp2k_thermostats::create_thermo_slow_section	(	type(section_type), pointer	section,
		logical, intent(in), optional	coupled_thermostat
	)

Specifies parameter for thermostat for constant temperature ensembles.

Parameters

section	will contain the coeff section
coupled_thermostat	...

Author

teo [tlaino] - University of Zurich - 09.2007

Definition at line 67 of file input_cp2k_thermostats.F.

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create_thermo_fast_section()

subroutine, public input_cp2k_thermostats::create_thermo_fast_section	(	type(section_type), pointer	section,
		logical, intent(in), optional	coupled_thermostat
	)

Specifies parameter for thermostat for constant temperature ensembles.

Parameters

section	will contain the coeff section
coupled_thermostat	...

Author

teo [tlaino] - University of Zurich - 09.2007

Definition at line 140 of file input_cp2k_thermostats.F.

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create_thermostat_section()

subroutine, public input_cp2k_thermostats::create_thermostat_section	(	type(section_type), pointer	section,
		logical, intent(in), optional	coupled_thermostat
	)

Specifies parameter for thermostat for constant temperature ensembles.

Parameters

section	will contain the coeff section
coupled_thermostat	...

Author

teo [tlaino] - University of Zurich - 09.2007

Definition at line 213 of file input_cp2k_thermostats.F.

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create_region_section()

subroutine, public input_cp2k_thermostats::create_region_section	(	type(section_type), pointer	section,
		character(len=*), intent(in)	label
	)

Creates a section to arbitrary define a region to thermostat.

Parameters

section	will contain the coeff section
label	...

Author

teo

Definition at line 343 of file input_cp2k_thermostats.F.

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create_gle_section()

subroutine, public input_cp2k_thermostats::create_gle_section

(

type(section_type), pointer

section

)

...

Parameters

section	...

author

Definition at line 469 of file input_cp2k_thermostats.F.

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create_mass_section()

subroutine, public input_cp2k_thermostats::create_mass_section	(	type(section_type), pointer	section,
		character(len=*), intent(in)	name
	)

Creates the mass section.

Parameters

section	the section to create
name	...

Author

teo

Definition at line 732 of file input_cp2k_thermostats.F.

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create_velocity_section()

subroutine, public input_cp2k_thermostats::create_velocity_section	(	type(section_type), pointer	section,
		character(len=*), intent(in)	name
	)

Creates the velocity section.

Parameters

section	the section to create
name	...

Author

teo

Definition at line 758 of file input_cp2k_thermostats.F.

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create_coord_section()

subroutine, public input_cp2k_thermostats::create_coord_section	(	type(section_type), pointer	section,
		character(len=*), intent(in)	name
	)

Creates the coord section.

Parameters

section	the section to create
name	...

Author

teo

Definition at line 784 of file input_cp2k_thermostats.F.

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