csvr_system_init Module Reference

Functions/Subroutines
subroutine, public	initialize_csvr_baro (simpar, csvr, csvr_section)
	fire up the thermostats, if NPT More...
subroutine, public	initialize_csvr_part (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, csvr, csvr_section, gci)
	... More...
subroutine, public	initialize_csvr_shell (thermostat_info, simpar, local_molecules, molecule, molecule_kind_set, para_env, csvr, csvr_section, gci)
	... More...

Detailed Description

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Function/Subroutine Documentation

initialize_csvr_baro()

subroutine, public csvr_system_init::initialize_csvr_baro	(	type(simpar_type), pointer	simpar,
		type(csvr_system_type), pointer	csvr,
		type(section_vals_type), pointer	csvr_section
	)

fire up the thermostats, if NPT

Parameters

simpar	...
csvr	...
csvr_section	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 50 of file csvr_system_init.F.

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initialize_csvr_part()

subroutine, public csvr_system_init::initialize_csvr_part	(	type(thermostat_info_type), pointer	thermostat_info,
		type(simpar_type), pointer	simpar,
		type(distribution_1d_type), pointer	local_molecules,
		type(molecule_type), dimension(:), pointer	molecule,
		type(molecule_kind_type), dimension(:), pointer	molecule_kind_set,
		type(mp_para_env_type), pointer	para_env,
		type(csvr_system_type), pointer	csvr,
		type(section_vals_type), pointer	csvr_section,
		type(global_constraint_type), pointer	gci
	)

...

Parameters

thermostat_info	...
simpar	...
local_molecules	...
molecule	...
molecule_kind_set	...
para_env	...
csvr	...
csvr_section	...
gci	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 74 of file csvr_system_init.F.

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initialize_csvr_shell()

subroutine, public csvr_system_init::initialize_csvr_shell	(	type(thermostat_info_type), pointer	thermostat_info,
		type(simpar_type), pointer	simpar,
		type(distribution_1d_type), pointer	local_molecules,
		type(molecule_type), dimension(:), pointer	molecule,
		type(molecule_kind_type), dimension(:), pointer	molecule_kind_set,
		type(mp_para_env_type), pointer	para_env,
		type(csvr_system_type), pointer	csvr,
		type(section_vals_type), pointer	csvr_section,
		type(global_constraint_type), pointer	gci
	)

...

Parameters

thermostat_info	...
simpar	...
local_molecules	...
molecule	...
molecule_kind_set	...
para_env	...
csvr	...
csvr_section	...
gci	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 107 of file csvr_system_init.F.

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