IPotential
, IPotentialMolecular
, IPotentialMolecularTorque
, PotentialMolecularSoft
P2HSDipole
, P2LJDipole
, P2ReactionFieldDipole
, P2Water4PSoft
, P2WaterTIP4PSoft
public interface IPotentialMolecularSecondDerivative extends IPotentialMolecularTorque
Modifier and Type | Method | Description |
---|---|---|
Tensor[] |
secondDerivative(IMoleculeList molecules) |
getRange, nBody, setBox
energy
gradientAndTorque
gradient, gradient, virial
Tensor[] secondDerivative(IMoleculeList molecules)