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IMP Reference Guide  develop.45c11de31d,2024/03/27
The Integrative Modeling Platform
LangevinThermostatOptimizerState.h File Reference

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>
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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.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file LangevinThermostatOptimizerState.h.