espressopp.interaction.CoulombTruncatedUniqueCharge

\[U = \frac{Q}{d}\]

where \(Q\) is the product of the charges of the two particles and \(d\) is their distance from each other.

In this interaction potential, a unique \(Q = q_iq_j\) value is specified per potential. For a more flexible truncated Coulomb interaction potential where each individual particle has its own charge \(q_i\), see CoulombTruncated.

espressopp.interaction.CoulombTruncatedUniqueCharge(qq, cutoff, shift)
Parameters:

  • qq (real) – (default: 1.0)

  • cutoff – (default: infinity)

  • shift – (default: “auto”)

espressopp.interaction.VerletListCoulombTruncatedUniqueCharge(vl)
Parameters:

vl

espressopp.interaction.VerletListCoulombTruncatedUniqueCharge.getPotential(type1, type2)
Parameters:

  • type1

  • type2

Return type:

espressopp.interaction.VerletListCoulombTruncatedUniqueCharge.setPotential(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.CellListCoulombTruncatedUniqueCharge(stor)
Parameters:

stor

espressopp.interaction.CellListCoulombTruncatedUniqueCharge.setPotential(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.FixedPairListCoulombTruncatedUniqueCharge(system, vl, potential)
Parameters:

  • system

  • vl

  • potential

espressopp.interaction.FixedPairListCoulombTruncatedUniqueCharge.setPotential(potential)
Parameters:

potential

class espressopp.interaction.CoulombTruncatedUniqueCharge.CoulombTruncatedUniqueCharge(*args, **kwds)

The CoulombTruncatedUniqueCharge potential.