Package etomica.integrator

Class IntegratorVelocityVerletShake.BondConstraints

java.lang.Object

etomica.integrator.IntegratorVelocityVerletShake.BondConstraints

Enclosing class:

IntegratorVelocityVerletShake

public static class IntegratorVelocityVerletShake.BondConstraints
extends java.lang.Object

Field Summary

Fields

Modifier and Type	Field	Description
int[][]	bondedAtoms
double[]	bondLengths

Constructor Summary

Constructors

Constructor	Description
BondConstraints(int[][] bondedAtoms, double[] bondLengths)

Method Summary

Modifier and Type	Method	Description
void	redistributeForces(IMolecule molecule, AtomLeafAgentManager<Vector> agentManager)
void	relaxMolecule(IMolecule molecule)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

bondedAtoms

public final int[][] bondedAtoms

bondLengths

public final double[] bondLengths

Constructor Detail

BondConstraints

public BondConstraints(int[][] bondedAtoms,
                       double[] bondLengths)

Method Detail

redistributeForces

public void redistributeForces(IMolecule molecule,
                               AtomLeafAgentManager<Vector> agentManager)

relaxMolecule

public void relaxMolecule(IMolecule molecule)