Verlet

The Verlet integrator for DPD (Dissipative Particle Dynamics) implements a velocity Verlet algorithm with DPD thermostat. This integrator is a wrapper around the UAMMD VerletNVE integrator combined with a DPD potential.

For more details on the underlying method, please refer to the UAMMD VerletNVE documentation and UAMMD DPD Potential documentation.

  • type: DPD, Verlet

  • parameters:

    • timeStep: real: Time step \([time]\)

    • temperature: real: Temperature of the system \([energy]\)

    • cutOff: real: Cutoff distance for DPD interactions \([distance]\)

    • gamma: real: Friction coefficient for DPD interactions \([mass/time]\)

    • alpha: real: Strength of the conservative force in DPD \([energy/distance]\)

Example:

"dpdVerlet":{
  "type":["DPD","Verlet"],
  "parameters":{
    "timeStep": 0.01,
    "temperature": 1.0,
    "cutOff": 1.0,
    "gamma": 4.5,
    "alpha": 25.0
  }
}

Note

This integrator automatically initializes particle velocities according to the specified temperature if they are not already set.

Warning

This integrator assumes that particle masses are defined in the particle data.