WritePatchyParticlesStep

The WritePatchyParticlesStep is an extension of the WriteStep that specifically handles systems with patchy particles. It writes both the core particles and their associated patches to the output file.

---

• type: WriteStep, WritePatchyParticlesStep

• parameters:

  • outputFilePath: string: Path and base name for the output file

  • outputFormat: string: Format of the output file (e.g., “xyz”, “pdb”, “lammpstrj”)

  • pbc: bool: Whether to apply periodic boundary conditions (optional, default: true)

  • append: bool: Whether to append to an existing file (optional, default: false)

Example:

"writePatchyTrajectory":{
  "type":["WriteStep","WritePatchyParticlesStep"],
  "parameters":{
    "outputFilePath": "patchy_trajectory",
    "outputFormat": "xyz",
    "pbc": true,
    "append": false
  }
}

Note

This step automatically detects and processes PatchyParticles interactors in the system.

Warning

Ensure that the PatchyParticles interactors are properly set up in your simulation before using this step.

Tip

The WritePatchyParticlesStep is particularly useful for visualizing and analyzing systems with complex, patchy particle structures.