IMP::atom::VelocityScalingOptimizerState Class Reference

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Detailed Description

Maintains temperature during molecular dynamics by velocity scaling.

This OptimizerState, when used with the MolecularDynamics optimizer, implements a simple thermostat by periodically rescaling the velocities. (Note that this results in discontinuous dynamics.)

See also:

MolecularDynamics

Inheritance diagram for IMP::atom::VelocityScalingOptimizerState:

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Public Member Functions
virtual std::string	get_type_name () const
virtual ::IMP::VersionInfo	get_version_info () const
void	rescale_velocities () const
	Rescale the velocities now.
void	set_particles (const Particles &pis)
	Set the particles to use.
void	set_skip_steps (unsigned skip_steps)
	Set the number of update calls to skip between rescaling.
void	set_temperature (Float temperature)
	Set the temperature to use.
virtual void	update ()
	VelocityScalingOptimizerState (const Particles &pis, Float temperature, unsigned skip_steps)
Friends
template<class T >
void	IMP::internal::unref (T *)

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The documentation for this class was generated from the following files:

• VelocityScalingOptimizerState.h
• atom/__init__.py