espressopp.interaction.Interaction

This is an abstract class, only needed to be inherited from.

espressopp.interaction.Interaction.bondType()

Return type:int

espressopp.interaction.Interaction.computeEnergy()

Return type:real

espressopp.interaction.Interaction.computeEnergyAA(atomtype)

Parameters:type1 (int :rtype: real) – Type of particles with respect to which the atomistic energy is calculated.

espressopp.interaction.Interaction.computeEnergyDeriv()

Return type:real

espressopp.interaction.Interaction.computeEnergyCG(atomtype)

Parameters:type1 (int :rtype: real) – Type of particles with respect to which the coarse-grained energy is calculated.

espressopp.interaction.Interaction.computeVirial()

Return type:real