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