OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::Shake Class Reference

Public Types

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

Public Member Functions

 Shake (SimInfo *info)
 
void constraintR ()
 
void constraintF ()
 
int getMaxConsIteration ()
 
void setMaxConsIteration (int iteration)
 
RealType getConsTolerance ()
 
void setConsTolerance (RealType tolerance)
 

Detailed Description

Definition at line 54 of file Shake.hpp.

Member Enumeration Documentation

◆ ConsStatus

enum OpenMD::Shake::ConsStatus

Definition at line 56 of file Shake.hpp.

Constructor & Destructor Documentation

◆ Shake()

OpenMD::Shake::Shake ( SimInfo * info)

Definition at line 56 of file Shake.cpp.

Member Function Documentation

◆ constraintF()

void OpenMD::Shake::constraintF ( )

Definition at line 91 of file Shake.cpp.

◆ constraintR()

void OpenMD::Shake::constraintR ( )

Definition at line 87 of file Shake.cpp.

◆ getConsTolerance()

RealType OpenMD::Shake::getConsTolerance ( )
inline

Definition at line 70 of file Shake.hpp.

◆ getMaxConsIteration()

int OpenMD::Shake::getMaxConsIteration ( )
inline

Definition at line 67 of file Shake.hpp.

◆ setConsTolerance()

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

Definition at line 71 of file Shake.hpp.

◆ setMaxConsIteration()

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

Definition at line 68 of file Shake.hpp.


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