adf.out

This file contains the Angular Distribution Function (ADF). It is generated when the compute_adf keyword is used.

File Format

For global ADF, the data in this file are organized as follows:

• Column 1: Angles (in degrees)

• Column 2: The (ADF) for the entire system

For local ADF, the data are organized as follows:

• Column 1: Angles (in degrees)

• The next Ntriples columns: The (ADF) for each specific atom triple