espressopp.interaction.Quartic

This class provides methods to compute forces and energies of the Quartic potential.

\[U=\frac{K}{4} \left(d^2 - r_0^2 \right)^2\]
espressopp.interaction.Quartic(K, r0, cutoff, shift)
Parameters:
  • K (real) – (default: 1.0)
  • r0 (real) – (default: 0.0)
  • cutoff – (default: infinity)
  • shift (real) – (default: 0.0)
espressopp.interaction.FixedPairListQuartic(system, vl, potential)
Parameters:
  • system
  • vl
  • potential
espressopp.interaction.FixedPairListQuartic.getFixedPairList()
Return type:A Python list of lists.
espressopp.interaction.FixedPairListQuartic.setFixedPairList(fixedpairlist)
Parameters:fixedpairlist
espressopp.interaction.FixedPairListQuartic.setPotential(type1, type2, potential)
Parameters:
  • type1
  • type2
  • potential
class espressopp.interaction.Quartic.Quartic

The Quartic potential.