OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::Rattle Class Reference

Velocity Verlet Constraint Algorithm. More...

#include "constraints/Rattle.hpp"

Public Types

enum  ConsStatus { consFail = -1 , consSuccess = 0 , consAlready = 1 }

Public Member Functions

 Rattle (SimInfo *info)
void constraintA ()
void constraintB ()
int getMaxConsIteration ()
void setMaxConsIteration (int iteration)
RealType getConsTolerance ()
void setConsTolerance (RealType tolerance)

Detailed Description

Velocity Verlet Constraint Algorithm.

Definition at line 61 of file Rattle.hpp.

Member Enumeration Documentation

◆ ConsStatus

enum OpenMD::Rattle::ConsStatus

Definition at line 63 of file Rattle.hpp.

Constructor & Destructor Documentation

◆ Rattle()

OpenMD::Rattle::Rattle ( SimInfo * info)

Definition at line 61 of file Rattle.cpp.

◆ ~Rattle()

OpenMD::Rattle::~Rattle ( )

Definition at line 101 of file Rattle.cpp.

Member Function Documentation

◆ constraintA()

void OpenMD::Rattle::constraintA ( )

Definition at line 103 of file Rattle.cpp.

◆ constraintB()

void OpenMD::Rattle::constraintB ( )

Definition at line 107 of file Rattle.cpp.

◆ getConsTolerance()

RealType OpenMD::Rattle::getConsTolerance ( )
inline

Definition at line 78 of file Rattle.hpp.

◆ getMaxConsIteration()

int OpenMD::Rattle::getMaxConsIteration ( )
inline

Definition at line 75 of file Rattle.hpp.

◆ setConsTolerance()

void OpenMD::Rattle::setConsTolerance ( RealType tolerance)
inline

Definition at line 79 of file Rattle.hpp.

◆ setMaxConsIteration()

void OpenMD::Rattle::setMaxConsIteration ( int iteration)
inline

Definition at line 76 of file Rattle.hpp.


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