espressopp.interaction.LJcos

if \(r^2 \leq border_{pot}\), then:

\[U = 4(\frac{1}{r^{12}} - \frac{1}{r^6}) + 1 - \phi\]

else:

\[U = \frac{1}{2}\phi (cos(\alpha r^2+\beta) - 1)\]
espressopp.interaction.LJcos(phi)
Parameters:

phi (real) – (default: 1.0)

espressopp.interaction.VerletListLJcos(vl)
Parameters:

vl

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

  • type1

  • type2

Return type:

espressopp.interaction.VerletListLJcos.getVerletList()
Return type:

A Python list of lists.

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

  • type1

  • type2

  • potential

espressopp.interaction.VerletListAdressLJcos(vl, fixedtupleList)
Parameters:

  • vl

  • fixedtupleList

espressopp.interaction.VerletListAdressLJcos.setPotentialAT(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.VerletListAdressLJcos.setPotentialCG(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.VerletListHadressLJcos(vl, fixedtupleList)
Parameters:

  • vl

  • fixedtupleList

espressopp.interaction.VerletListHadressLJcos.setPotentialAT(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.VerletListHadressLJcos.setPotentialCG(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.CellListLJcos(stor)
Parameters:

stor

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

  • type1

  • type2

  • potential

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

  • system

  • vl

  • potential

espressopp.interaction.FixedPairListLJcos.getFixedPairList()
Return type:

A Python list of lists.

espressopp.interaction.FixedPairListLJcos.setFixedPairList(fixedpairlist)
Parameters:

fixedpairlist

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

potential

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

The Lennard-Jones potential.