OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::FluctuatingChargeConstraints Class Reference

#include <FluctuatingChargeConstraints.hpp>

Public Member Functions

 FluctuatingChargeConstraints (SimInfo *info)
 
void setConstrainRegions (bool cr)
 
void applyConstraints ()
 

Protected Member Functions

void initialize ()
 

Protected Attributes

SimInfoinfo_
 
bool initialized_
 
bool hasFlucQ_
 
bool constrainRegions_
 
std::vector< int > regionKeys_
 
std::vector< RealType > regionForce_
 
std::vector< int > regionCharges_
 

Detailed Description

Definition at line 50 of file FluctuatingChargeConstraints.hpp.

Constructor & Destructor Documentation

◆ FluctuatingChargeConstraints()

OpenMD::FluctuatingChargeConstraints::FluctuatingChargeConstraints ( SimInfo info)

Definition at line 52 of file FluctuatingChargeConstraints.cpp.

Member Function Documentation

◆ applyConstraints()

◆ initialize()

void OpenMD::FluctuatingChargeConstraints::initialize ( )
protected

◆ setConstrainRegions()

Member Data Documentation

◆ constrainRegions_

bool OpenMD::FluctuatingChargeConstraints::constrainRegions_
protected

Definition at line 61 of file FluctuatingChargeConstraints.hpp.

Referenced by applyConstraints(), and setConstrainRegions().

◆ hasFlucQ_

bool OpenMD::FluctuatingChargeConstraints::hasFlucQ_
protected

Definition at line 60 of file FluctuatingChargeConstraints.hpp.

Referenced by applyConstraints(), and initialize().

◆ info_

SimInfo* OpenMD::FluctuatingChargeConstraints::info_
protected

◆ initialized_

bool OpenMD::FluctuatingChargeConstraints::initialized_
protected

◆ regionCharges_

std::vector<int> OpenMD::FluctuatingChargeConstraints::regionCharges_
protected

Definition at line 64 of file FluctuatingChargeConstraints.hpp.

Referenced by applyConstraints(), and setConstrainRegions().

◆ regionForce_

std::vector<RealType> OpenMD::FluctuatingChargeConstraints::regionForce_
protected

Definition at line 63 of file FluctuatingChargeConstraints.hpp.

Referenced by applyConstraints(), and setConstrainRegions().

◆ regionKeys_

std::vector<int> OpenMD::FluctuatingChargeConstraints::regionKeys_
protected

Definition at line 62 of file FluctuatingChargeConstraints.hpp.

Referenced by applyConstraints(), and setConstrainRegions().


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