observer.xyz

File containing atomistic positions, velocities and forces. It is generated when invoking the dump_observer keyword.

• In the case of dump_observer being in observe mode, an XYZ-file for each potential is written with the index of the potential in run.in appended to the file name. For example, observer0.xyz corresponds to the first NEP potential specified in run.in, observer1.xyz to the second, and so forth. With a single potential, the file is named observer.xyz.

• In the case of mode being average, a single file named observer.xyz is written, corresponding to the average of the supplied NEP potentials.

File format

This file is in the extended XYZ format. The output mode for this file is append.