OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::FluctuatingChargeDamped Class Reference
Inheritance diagram for OpenMD::FluctuatingChargeDamped:

Public Member Functions

 FluctuatingChargeDamped (SimInfo *info)
RealType getDragCoefficient ()
void setDragCoefficient (RealType drag)
int getMaxIterationNumber ()
void setMaxIterationNumber (int maxIter)
RealType getForceTolerance ()
void setForceTolerance (RealType tol)
Public Member Functions inherited from OpenMD::FluctuatingChargePropagator
 FluctuatingChargePropagator (SimInfo *info)
virtual void PositionStep (RealType)
virtual void VelocityStep (RealType)
virtual void setForceManager (ForceManager *forceMan)

Additional Inherited Members

Protected Attributes inherited from OpenMD::FluctuatingChargePropagator
FluctuatingChargeParameters * fqParams_
FluctuatingChargeConstraints * fqConstraints_
SimInfo * info_ {nullptr}
ForceManager * forceMan_
bool hasFlucQ_
bool initialized_

Detailed Description

Definition at line 55 of file FluctuatingChargeDamped.hpp.

Constructor & Destructor Documentation

◆ FluctuatingChargeDamped()

OpenMD::FluctuatingChargeDamped::FluctuatingChargeDamped ( SimInfo * info)

Definition at line 56 of file FluctuatingChargeDamped.cpp.

Member Function Documentation

◆ getDragCoefficient()

RealType OpenMD::FluctuatingChargeDamped::getDragCoefficient ( )
inline

Definition at line 59 of file FluctuatingChargeDamped.hpp.

◆ getForceTolerance()

RealType OpenMD::FluctuatingChargeDamped::getForceTolerance ( )
inline

Definition at line 67 of file FluctuatingChargeDamped.hpp.

◆ getMaxIterationNumber()

int OpenMD::FluctuatingChargeDamped::getMaxIterationNumber ( )
inline

Definition at line 63 of file FluctuatingChargeDamped.hpp.

◆ setDragCoefficient()

void OpenMD::FluctuatingChargeDamped::setDragCoefficient ( RealType drag)
inline

Definition at line 61 of file FluctuatingChargeDamped.hpp.

◆ setForceTolerance()

void OpenMD::FluctuatingChargeDamped::setForceTolerance ( RealType tol)
inline

Definition at line 69 of file FluctuatingChargeDamped.hpp.

◆ setMaxIterationNumber()

void OpenMD::FluctuatingChargeDamped::setMaxIterationNumber ( int maxIter)
inline

Definition at line 65 of file FluctuatingChargeDamped.hpp.

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