espressopp.interaction.SingleParticlePotential

This class is used to define single-particle interactions, typically used for external forces on the system.

The potential may depend on any of the particle properties (type, mass, etc.).

espressopp.interaction.SingleParticlePotential.computeEnergy(position, bc)
Parameters:
  • position
  • bc
Return type:

espressopp.interaction.SingleParticlePotential.computeForce(position, bc)
Parameters:
  • position
  • bc
Return type: