Package etomica.potential

Interface PotentialCalculation

All Known Subinterfaces:

PotentialCalculationMolecular

All Known Implementing Classes:

DataSourceEnergies.PotentialCalculationEnergies, DataSourceEnergies.PotentialCalculationEnergiesEAM, IntegratorHard.CollisionHandlerUp, MeterEnergyMeanField.PotentialCalculationCSsum, MeterWallForce.PotentialCalculationWallForce, PotentialCalculationDUDW, PotentialCalculationEFSSP, PotentialCalculationEnergySum, PotentialCalculationEnergySumBigDecimal, PotentialCalculationEnergySumCutoff, PotentialCalculationEnergySumEAM, PotentialCalculationForcePressureSum, PotentialCalculationForcePressureSumGB, PotentialCalculationForceStress, PotentialCalculationForceSum, PotentialCalculationForceSumGlass, PotentialCalculationForceSumWall, PotentialCalculationForceSumWallForce, PotentialCalculationFreeEnergy, PotentialCalculationFSum, PotentialCalculationFSum, PotentialCalculationHeisenberg, PotentialCalculationHyperVirialSum, PotentialCalculationLJSP, PotentialCalculationMappedEnergy, PotentialCalculationMappedRdf, PotentialCalculationMappedVirial, PotentialCalculationMappedVirialV, PotentialCalculationMeanField, PotentialCalculationMolecularVirialSum, PotentialCalculationMoleculeAgentSum, PotentialCalculationMoleculeAgentSumMinusIdeal, PotentialCalculationMoleculeAgentSumMinusIdealPair, PotentialCalculationMoleculeAgentSumPair, PotentialCalculationPair, PotentialCalculationPhiSum, PotentialCalculationPhiSum, PotentialCalculationPhiSumHeisenberg, PotentialCalculationPressureTensor, PotentialCalculationRDF, PotentialCalculationSolidSuper, PotentialCalculationSolidSuperCut, PotentialCalculationSolidSuperCutLS, PotentialCalculationSumCutoff, PotentialCalculationSumCutoffLS, PotentialCalculationSumquare, PotentialCalculationTorqueSum, PotentialCalculationTorqueSumWallForce, PotentialCalculationVirialSum, PotentialCalculationVSum

public interface 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(IAtomList atoms, IPotentialAtomic potential)	Method giving the specific calculation performed by this class.

Method Detail

doCalculation

void doCalculation(IAtomList atoms,
                   IPotentialAtomic 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.