AndersenThermostatImpl Class Reference

This is the internal implementation of AndersenThermostat. More...

#include <AndersenThermostatImpl.h>

Inheritance diagram for AndersenThermostatImpl:
ForceImpl

List of all members.

Public Member Functions

 AndersenThermostatImpl (AndersenThermostat &owner)
void initialize (ContextImpl &context)
 This is called after the ForceImpl is created and before updateContextState(), calcForces(), or calcEnergy() is called on it.
AndersenThermostatgetOwner ()
 Get the Force object from which this ForceImpl was created.
void updateContextState (ContextImpl &context)
 This method is called at the beginning of each time step.
double calcForcesAndEnergy (ContextImpl &context, bool includeForces, bool includeEnergy)
 Calculate the force on each particle generated by this ForceImpl and/or this ForceImpl's contribution to the potential energy of the system.
std::map< std::string, double > getDefaultParameters ()
 Get a map containing the default values for all adjustable parameters defined by this ForceImpl.
std::vector< std::string > getKernelNames ()
 Get the names of all Kernels used by this Force.

Static Public Member Functions

static std::vector
< std::vector< int > > 
calcParticleGroups (const System &system)
 This is a utility routine that computes the groups of particles the thermostat should be applied to.

Detailed Description

This is the internal implementation of AndersenThermostat.


Constructor & Destructor Documentation


Member Function Documentation

double calcForcesAndEnergy ( ContextImpl context,
bool  includeForces,
bool  includeEnergy 
) [inline, virtual]

Calculate the force on each particle generated by this ForceImpl and/or this ForceImpl's contribution to the potential energy of the system.

Parameters:
context the context in which the system is being simulated
includeForces true if forces should be calculated
includeEnergy true if the energy should be calculated
Returns:
this force's contribution to the potential energy of the system, or 0 if this force does not contribute to potential energy (or if includeEnergy is false)

Implements ForceImpl.

static std::vector<std::vector<int> > calcParticleGroups ( const System system  )  [static]

This is a utility routine that computes the groups of particles the thermostat should be applied to.

std::map<std::string, double> getDefaultParameters (  )  [virtual]

Get a map containing the default values for all adjustable parameters defined by this ForceImpl.

These parameters and their default values will automatically be added to the Context.

Implements ForceImpl.

std::vector<std::string> getKernelNames (  )  [virtual]

Get the names of all Kernels used by this Force.

Implements ForceImpl.

AndersenThermostat& getOwner (  )  [inline, virtual]

Get the Force object from which this ForceImpl was created.

Implements ForceImpl.

void initialize ( ContextImpl context  )  [virtual]

This is called after the ForceImpl is created and before updateContextState(), calcForces(), or calcEnergy() is called on it.

This allows it to do any necessary initialization.

Implements ForceImpl.

void updateContextState ( ContextImpl context  )  [virtual]

This method is called at the beginning of each time step.

It give the ForceImpl a chance to modify the state variables (positions, velocities, and parameters) stored in the Context in arbitrary ways before integration is performed.

Parameters:
context the context in which the system is being simulated

Implements ForceImpl.


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

Generated by  doxygen 1.6.2