OpenMD 3.0
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
FluctuatingChargeParametersfqParams_
 
FluctuatingChargeConstraintsfqConstraints_
 
SimInfoinfo_ {nullptr}
 
ForceManagerforceMan_
 
bool hasFlucQ_
 
bool initialized_
 

Detailed Description

Definition at line 52 of file FluctuatingChargeDamped.hpp.

Constructor & Destructor Documentation

◆ FluctuatingChargeDamped()

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

Definition at line 53 of file FluctuatingChargeDamped.cpp.

Member Function Documentation

◆ getDragCoefficient()

RealType OpenMD::FluctuatingChargeDamped::getDragCoefficient ( )
inline

Definition at line 56 of file FluctuatingChargeDamped.hpp.

◆ getForceTolerance()

RealType OpenMD::FluctuatingChargeDamped::getForceTolerance ( )
inline

Definition at line 64 of file FluctuatingChargeDamped.hpp.

◆ getMaxIterationNumber()

int OpenMD::FluctuatingChargeDamped::getMaxIterationNumber ( )
inline

Definition at line 60 of file FluctuatingChargeDamped.hpp.

◆ setDragCoefficient()

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

Definition at line 58 of file FluctuatingChargeDamped.hpp.

◆ setForceTolerance()

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

Definition at line 66 of file FluctuatingChargeDamped.hpp.

◆ setMaxIterationNumber()

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

Definition at line 62 of file FluctuatingChargeDamped.hpp.


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