lammps_nematic_vs_z
Compute the nematic order parameter S(z) profile along the z-axis by binning particle quaternions by z-coordinate, revealing alignment variations near surfaces or interfaces.
Instructions
Compute nematic alignment profile S(z) along the z-axis.
Bins particles by z-coordinate and computes S in each bin, useful for studying alignment near surfaces or interfaces.
Args: quaternions_json: JSON string with shape (N, 4) quaternion data. z_positions_json: JSON string with shape (N,) z-coordinates. n_bins: Number of bins along z.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| n_bins | No | ||
| quaternions_json | Yes | ||
| z_positions_json | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |