thermal_region_utils Module Reference

Setup of regions with different temperature. More...

Functions/Subroutines
subroutine, public	create_thermal_regions (thermal_regions, md_section, simpar, force_env)
	create thermal_regions
subroutine, public	set_t_region_index (particles, ipart, ireg)
	set particlesels(ipart)t_region_index to ireg
subroutine, public	print_thermal_regions_temperature (thermal_regions, itimes, time, pos, act)
	print_thermal_regions_temperature
subroutine, public	print_thermal_regions_langevin (thermal_regions, simpar, pos, act)
	print out information regarding to langevin regions defined in thermal_regions section

Detailed Description

Setup of regions with different temperature.

History

• Added support for Langevin regions (2014/01/08, LT)
• Added print subroutine for langevin regions (2014/02/04, LT)
• Changed print_thermal_regions to print_thermal_regions_temperature (2014/02/04, LT)

Author

MI

Function/Subroutine Documentation

create_thermal_regions()

subroutine, public thermal_region_utils::create_thermal_regions	(	type(thermal_regions_type), pointer	thermal_regions,
		type(section_vals_type), pointer	md_section,
		type(simpar_type), pointer	simpar,
		type(force_env_type), pointer	force_env
	)

create thermal_regions

Parameters

thermal_regions	...
md_section	...
simpar	...
force_env	...

History

• Added support for Langevin regions (2014/01/08, LT)

Author

Definition at line 92 of file thermal_region_utils.F.

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set_t_region_index()

subroutine, public thermal_region_utils::set_t_region_index	(	type(particle_list_type), pointer	particles,
		integer, intent(in)	ipart,
		integer, intent(in)	ireg
	)

set particlesels(ipart)t_region_index to ireg

Parameters

particles	...
ipart	...
ireg	...

History

• Created (04/2026)

Author

Definition at line 404 of file thermal_region_utils.F.

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print_thermal_regions_temperature()

subroutine, public thermal_region_utils::print_thermal_regions_temperature	(	type(thermal_regions_type), pointer	thermal_regions,
		integer, intent(in)	itimes,
		real(kind=dp), intent(in)	time,
		character(len=default_string_length)	pos,
		character(len=default_string_length)	act
	)

print_thermal_regions_temperature

Parameters

thermal_regions	: thermal regions type contains information about the regions
itimes	: iteration number of the time step
time	: simulation time of the time step
pos	: file position
act	: file action

History

• added doxygen header and changed subroutine name from print_thermal_regions to print_thermal_regions_temperature (2014/02/04, LT)

Author

Definition at line 452 of file thermal_region_utils.F.

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print_thermal_regions_langevin()

subroutine, public thermal_region_utils::print_thermal_regions_langevin	(	type(thermal_regions_type), pointer	thermal_regions,
		type(simpar_type), pointer	simpar,
		character(len=default_string_length)	pos,
		character(len=default_string_length)	act
	)

print out information regarding to langevin regions defined in thermal_regions section

Parameters

thermal_regions	: thermal regions type containing the relevant langevin regions information
simpar	: wrapper for simulation parameters
pos	: file position
act	: file action

History

• created (2014/02/02, LT)

Author

Lianheng Tong [LT] (tongl.nosp@m.ianh.nosp@m.eng@g.nosp@m.mail.nosp@m..com)

Definition at line 512 of file thermal_region_utils.F.

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