Package etomica.potential

Interface PotentialCalculationMolecular

All Superinterfaces:

PotentialCalculation

All Known Implementing Classes:

DataSourceEnergies.PotentialCalculationEnergies, DataSourceEnergies.PotentialCalculationEnergiesEAM, PotentialCalculationEnergySum, PotentialCalculationEnergySumBigDecimal, PotentialCalculationEnergySumEAM, PotentialCalculationFSum, PotentialCalculationFSum, PotentialCalculationMolecularVirialSum, PotentialCalculationPhiSum, PotentialCalculationPhiSumHeisenberg, PotentialCalculationTorqueSum, PotentialCalculationTorqueSumWallForce

public interface PotentialCalculationMolecular
extends PotentialCalculation

Class defining a particular action to be performed on a set of atoms using an arbitrary potential. Examples of such actions are summing the energy, computing forces on atoms, determining collision times, etc. Concrete subclasses define these actions through implementation of the doCalculation(IAtomSet, IPotential) method, which should perform the defined calculation on the atoms using the given potential.

See Also:

PotentialMaster, PotentialGroup

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IMoleculeList atoms, IPotentialMolecular potential)	Method giving the specific calculation performed by this class.

Methods inherited from interface etomica.potential.PotentialCalculation

doCalculation

Method Detail

doCalculation

void doCalculation(IMoleculeList atoms,
                   IPotentialMolecular potential)

Method giving the specific calculation performed by this class.

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.