wiener_process Namespace Reference

Handling of the Wiener process currently employed in turn of the Langevin dynamics. More...

Functions
subroutine, public	create_wiener_process (md_env, error)
	Create a Wiener process for Langevin dynamics and initialize an independent random number generator for each atom in all force environment and all the subsystems/fragments therein.
subroutine, public	create_wiener_process_cv (meta_env, error)
	Create a Wiener process for Langevin dynamics used for metadynamics and initialize an independent random number generator for each COLVAR.
Variables
CHARACTER(len=*), parameter, private	moduleN = 'wiener_process'

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Detailed Description

Handling of the Wiener process currently employed in turn of the Langevin dynamics.

History

none

Author:

Matthias Krack (05.07.2005)

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Function Documentation

subroutine,public wiener_process::create_wiener_process	(	TYPE(md_environment_type),pointer	md_env,
		TYPE(cp_error_type),intent(inout)	error
	)

Create a Wiener process for Langevin dynamics and initialize an independent random number generator for each atom in all force environment and all the subsystems/fragments therein.

History

Creation (06.07.2005,MK)

Definition at line 58 of file wiener_process.f90.

References string_utilities::compress(), cp_subsys_types::cp_subsys_get(), CPPostcondition, force_env_types::force_env_get(), parallel_rng_types::GAUSSIAN, md_environment_types::get_md_env(), and input_section_types::section_vals_get_subs_vals().

Referenced by md_run::qs_mol_dyn_low(), and tamc_run::qs_tamc().

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subroutine,public wiener_process::create_wiener_process_cv	(	TYPE(meta_env_type),pointer	meta_env,
		TYPE(cp_error_type),intent(inout)	error
	)

Create a Wiener process for Langevin dynamics used for metadynamics and initialize an independent random number generator for each COLVAR.

Author:

Fabio Sterpone

Date:

01.2009

Definition at line 173 of file wiener_process.f90.

References string_utilities::compress(), CPPostcondition, and parallel_rng_types::GAUSSIAN.

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Variable Documentation

CHARACTER(len=*),parameter,private wiener_process::moduleN = 'wiener_process'

Definition at line 44 of file wiener_process.f90.