csvr_system_mapping Module Reference

Functions/Subroutines
subroutine, public	csvr_to_barostat_mapping (simpar, csvr)
	Creates the thermostatting for the barostat. More...
subroutine, public	csvr_to_particle_mapping (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, csvr, para_env, gci)
	Creates the thermostatting maps. More...
subroutine, public	csvr_to_shell_mapping (thermostat_info, simpar, local_molecules, molecule_set, molecule_kind_set, csvr, para_env, gci)
	... More...

Detailed Description

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Function/Subroutine Documentation

csvr_to_barostat_mapping()

subroutine, public csvr_system_mapping::csvr_to_barostat_mapping	(	type(simpar_type), pointer	simpar,
		type(csvr_system_type), pointer	csvr
	)

Creates the thermostatting for the barostat.

Parameters

simpar	...
csvr	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 53 of file csvr_system_mapping.F.

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csvr_to_particle_mapping()

subroutine, public csvr_system_mapping::csvr_to_particle_mapping	(	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_set,
		type(molecule_kind_type), dimension(:), pointer	molecule_kind_set,
		type(csvr_system_type), pointer	csvr,
		type(mp_para_env_type), pointer	para_env,
		type(global_constraint_type), pointer	gci
	)

Creates the thermostatting maps.

Parameters

thermostat_info	...
simpar	...
local_molecules	...
molecule_set	...
molecule_kind_set	...
csvr	...
para_env	...
gci	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 105 of file csvr_system_mapping.F.

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csvr_to_shell_mapping()

subroutine, public csvr_system_mapping::csvr_to_shell_mapping	(	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_set,
		type(molecule_kind_type), dimension(:), pointer	molecule_kind_set,
		type(csvr_system_type), pointer	csvr,
		type(mp_para_env_type), pointer	para_env,
		type(global_constraint_type), pointer	gci
	)

...

Parameters

thermostat_info	...
simpar	...
local_molecules	...
molecule_set	...
molecule_kind_set	...
csvr	...
para_env	...
gci	...

Author

Teodoro Laino [tlaino] - University of Zurich - 10.2007

Definition at line 245 of file csvr_system_mapping.F.

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