angular_rdf.out

This file contains the angular-dependent radial distribution function (ARDF) data.

File Format

The file has the following columns:

  1. radius: The radial distance r (in Å)

  2. theta: The angle θ (in radians, from -π to π)

  3. total: The total ARDF g(r,θ) for all atom pairs

  4. type_i_j: The partial ARDF g(r,θ) for atom pairs of type i and j (if specified)

For each radius value, there will be multiple rows corresponding to different angle values.

Example

Here is an example of the file content:

#radius theta total type_0_0 type_1_1 type_0_1
0.05 -3.14159 0.00000 0.00000 0.00000 0.00000
0.05 -3.07959 0.00000 0.00000 0.00000 0.00000
...