lammps_nematic_order
Calculate the scalar nematic order parameter S from quaternion data to measure the alignment of anisotropic particles, where 1 indicates perfect alignment, 0 isotropic, and -0.5 perpendicular.
Instructions
Compute the scalar nematic order parameter S from quaternion data.
S measures alignment of anisotropic particles. S=1 is perfect alignment, S=0 is isotropic, S=-0.5 is perpendicular alignment.
Input is a JSON array of quaternions [w, x, y, z] for each particle.
Args: quaternions_json: JSON string with shape (N, 4) quaternion data. Example: "[[1,0,0,0], [0.9,0.1,0,0], [0.8,0.2,0.1,0]]"
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| quaternions_json | Yes |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |