al_system_types Module Reference

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

Data Types
type	al_system_type

Functions/Subroutines
subroutine, public	al_init (al, simpar, section)
	Initialize type for Adaptive Langevin (AD_LANGEVIN)
subroutine, public	al_thermo_create (al)
	Initialize NVT type for AD_LANGEVIN thermostat.
subroutine, public	al_dealloc (al)
	Deallocate type for AD_LANGEVIN thermostat.

Detailed Description

Type for the canonical sampling through velocity rescaling.

Author

Teodoro Laino - 09.2007 University of Zurich [tlaino]

Function/Subroutine Documentation

al_init()

subroutine, public al_system_types::al_init	(	type(al_system_type), pointer	al,
		type(simpar_type), pointer	simpar,
		type(section_vals_type), pointer	section
	)

Initialize type for Adaptive Langevin (AD_LANGEVIN)

Parameters

al	...
simpar	...
section	...

Author

Noam Bernstein [noamb] 02.2012

Definition at line 62 of file al_system_types.F.

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al_thermo_create()

subroutine, public al_system_types::al_thermo_create

(

type(al_system_type), pointer

al

)

Initialize NVT type for AD_LANGEVIN thermostat.

Parameters

al

...

Author

Noam Bernstein [noamb] 02.2012

Definition at line 85 of file al_system_types.F.

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al_dealloc()

subroutine, public al_system_types::al_dealloc

(

type(al_system_type), pointer

al

)

Deallocate type for AD_LANGEVIN thermostat.

Parameters

al

...

Author

Noam Bernstein [noamb] 02.2012

Definition at line 108 of file al_system_types.F.

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