Maintains temperature during molecular dynamics using a Langevin thermostat. More...

#include <IMP/atom/atom_config.h>
#include <IMP/Particle.h>
#include <IMP/base_types.h>
#include <IMP/OptimizerState.h>

Include dependency graph for LangevinThermostatOptimizerState.h:

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Classes
class	IMP::atom::LangevinThermostatOptimizerState
	Maintains temperature during molecular dynamics. More...

Namespaces
	IMP
	Base functionality and abstract base classes for representation, scoring and sampling.

	IMP::atom
	Functionality for loading, creating, manipulating and scoring atomic structures.

Typedefs
typedef IMP::Vector < IMP::Pointer < LangevinThermostatOptimizerState > >	IMP::atom::LangevinThermostatOptimizerStates

typedef IMP::Vector < IMP::WeakPointer < LangevinThermostatOptimizerState > >	IMP::atom::LangevinThermostatOptimizerStatesTemp

Detailed Description

Maintains temperature during molecular dynamics using a Langevin thermostat.

Classes