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

Public Member Functions

 FluctuatingChargeLangevin (SimInfo *info)
RealType getTargetTemp ()
void setTargetTemp (RealType tt)
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 58 of file FluctuatingChargeLangevin.hpp.

Constructor & Destructor Documentation

◆ FluctuatingChargeLangevin()

OpenMD::FluctuatingChargeLangevin::FluctuatingChargeLangevin ( SimInfo * info)

Definition at line 58 of file FluctuatingChargeLangevin.cpp.

Member Function Documentation

◆ getDragCoefficient()

RealType OpenMD::FluctuatingChargeLangevin::getDragCoefficient ( )
inline

Definition at line 66 of file FluctuatingChargeLangevin.hpp.

◆ getForceTolerance()

RealType OpenMD::FluctuatingChargeLangevin::getForceTolerance ( )
inline

Definition at line 74 of file FluctuatingChargeLangevin.hpp.

◆ getMaxIterationNumber()

int OpenMD::FluctuatingChargeLangevin::getMaxIterationNumber ( )
inline

Definition at line 70 of file FluctuatingChargeLangevin.hpp.

◆ getTargetTemp()

RealType OpenMD::FluctuatingChargeLangevin::getTargetTemp ( )
inline

Definition at line 62 of file FluctuatingChargeLangevin.hpp.

◆ setDragCoefficient()

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

Definition at line 68 of file FluctuatingChargeLangevin.hpp.

◆ setForceTolerance()

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

Definition at line 76 of file FluctuatingChargeLangevin.hpp.

◆ setMaxIterationNumber()

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

Definition at line 72 of file FluctuatingChargeLangevin.hpp.

◆ setTargetTemp()

void OpenMD::FluctuatingChargeLangevin::setTargetTemp ( RealType tt)
inline

Definition at line 64 of file FluctuatingChargeLangevin.hpp.

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