Topology #

In some cases, LocalForceField affects GlobalForceField. For example, excluded volume interaction would not be applied to a pair of particles that interact with each other via bond length interaction.

To share the information among forcefields, Topology is constructed.

It contains graph structure where particles are represented as nodes and local interactions are represented as edges.

LocalForceField can name the interaction. GlobalForceField can ignore specific local interactions.

[[forcefields.local]]
interaction = "BondLength"
potential   = "Harmonic"
topology    = "bond"
parameters  = [
    {indices = [0, 1], ... },
    # ...
]

[[forcefields.global]]
interaction = "Pair"
potential   = "ExcludedVolume"
ignore.particles_within.bond    = 3 # ignore particles within 3 bonds.
ignore.particles_within.contact = 1 # ignore particles within 1 contact.
# ...
parameters = [
    # ...
]