GlobalPair #

GlobalPairInteraction will be applied to all the possible pairs of particles participating in the interaction.

The following potentials are available.

• LennardJones
• UniformLennardJones
• DebyeHuckel
• ExcludedVolume
• InversePower
• HardCoreExcludedVolume
• WCAPotential
• iSoLFAttractive
• 3SPN2ExcludedVolume

Example #

[[forcefields.global]]
interaction = "Pair"
potential   = "ExcludedVolume"
ignore.particles_within.bond    = 3
ignore.particles_within.contact = 1
ignore.groups.intra = ["chain-A"]
ignore.groups.inter = [["chain-B", "chain-C"]]
spatial_partition.type = "CellList"
spatial_partition.margin = 0.2
parameters = [
    {index = 0, offset = 100, ...}, # required parameter depends on the potential.
    # ...
]

Input Reference #

• interaction: String
  • Name of the interaction. Here, it is "Pair".
• potential: String
  • The following potentials are available.
  • "LennardJones"
  • "UniformLennardJones"
  • "DebyeHuckel"
  • "ExcludedVolume"
  • "InversePower"
  • "HardCoreExcludedVolume"
  • "WCA"
  • "iSoLFAttractive"
• ignore: Table
  • It describes the condition when the pair of particles does not interact to each other.
  • For detail, see the ignore section of GlobalForceField
• spatial_partition: Table
  • It specifies the algorithm to construct a neighbor list.
  • For detail, see the ignore section of GlobalForceField
• parameters: Array of Tables
  • index: Integer
    • The index of a particle. The index is 0-based.
  • offset: Integer (Optional. By default, 0.)
    • The offset value for the index.