csvr_system_types Module Reference

Type for the canonical sampling through velocity rescaling. More...

Data Types
type	csvr_system_type

Functions/Subroutines
subroutine, public	csvr_init (csvr, simpar, section)
	Initialize type for Canonical Sampling through Velocity Rescaling (CSVR)
subroutine, public	csvr_thermo_create (csvr)
	Initialize NVT type for CSVR thermostat.
subroutine, public	csvr_dealloc (csvr)
	Deallocate type for CSVR thermostat.

Detailed Description

Type for the canonical sampling through velocity rescaling.

Author

Teodoro Laino - 09.2007 University of Zurich [tlaino]

Function/Subroutine Documentation

csvr_init()

subroutine, public csvr_system_types::csvr_init	(	type(csvr_system_type), pointer	csvr,
		type(simpar_type), pointer	simpar,
		type(section_vals_type), pointer	section
	)

Initialize type for Canonical Sampling through Velocity Rescaling (CSVR)

Parameters

csvr	...
simpar	...
section	...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 65 of file csvr_system_types.F.

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csvr_thermo_create()

subroutine, public csvr_system_types::csvr_thermo_create

(

type(csvr_system_type), pointer

csvr

)

Initialize NVT type for CSVR thermostat.

Parameters

csvr

...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 90 of file csvr_system_types.F.

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csvr_dealloc()

subroutine, public csvr_system_types::csvr_dealloc

(

type(csvr_system_type), pointer

csvr

)

Deallocate type for CSVR thermostat.

Parameters

csvr

...

Author

Teodoro Laino [tlaino] 10.2007- University of Zurich

Definition at line 132 of file csvr_system_types.F.

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