HarmonicBondBetweenCentersOfMass

The HarmonicBondBetweenCentersOfMass potential applies a harmonic bond between the centers of mass of two sets of particles.

\[U = \frac{1}{2}K(r-r_0)^2\]

where:

\(K\) is the spring constant
\(r\) is the distance between the centers of mass of the two sets
\(r_0\) is the equilibrium distance

type: Set2, HarmonicBondBetweenCentersOfMass
parameters: None
data: * idSet_i: int: Identifier for the first set of particles * idSet_j: int: Identifier for the second set of particles * K: real: Spring constant \([energy/distance^2]\) * r0: real: Equilibrium distance \([distance]\)

Example:

"harmonicBond":{
  "type":["Set2","HarmonicBondBetweenCentersOfMass"],
  "labels":["idSet_i", "idSet_j", "K", "r0"],
  "data":[
    [0, 1, 100.0, 5.0]
  ]
}

Note

This potential is useful for creating flexible connections between groups of particles or for maintaining a preferred distance between two structures in a simulation.