lammps_nematic_vs_time
Compute time-dependent nematic alignment from quaternion frames to track orientational ordering in molecular dynamics trajectories.
Instructions
Compute nematic alignment S(t) over a trajectory.
Each frame contains quaternions for all particles at that timestep.
Args: quaternions_frames_json: JSON string — list of (N, 4) arrays, one per frame. Example: "[[[1,0,0,0],[0.9,0.1,0,0]], [[0.8,0.2,0.1,0],[0.7,0.3,0,0]]]"
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| quaternions_frames_json | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |