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(*args, **kwds)

The Quartic potential.