OpenMD 3.0
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 58 of file Rattle.hpp.

Member Enumeration Documentation

◆ ConsStatus

enum OpenMD::Rattle::ConsStatus

Definition at line 60 of file Rattle.hpp.

Constructor & Destructor Documentation

◆ Rattle()

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

Definition at line 58 of file Rattle.cpp.

◆ ~Rattle()

OpenMD::Rattle::~Rattle ( )

Definition at line 98 of file Rattle.cpp.

Member Function Documentation

◆ constraintA()

void OpenMD::Rattle::constraintA ( )

Definition at line 100 of file Rattle.cpp.

◆ constraintB()

void OpenMD::Rattle::constraintB ( )

Definition at line 104 of file Rattle.cpp.

◆ getConsTolerance()

RealType OpenMD::Rattle::getConsTolerance ( )
inline

Definition at line 75 of file Rattle.hpp.

◆ getMaxConsIteration()

int OpenMD::Rattle::getMaxConsIteration ( )
inline

Definition at line 72 of file Rattle.hpp.

◆ setConsTolerance()

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

Definition at line 76 of file Rattle.hpp.

◆ setMaxConsIteration()

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

Definition at line 73 of file Rattle.hpp.


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