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2.7. Output Readers

The Python package contains the lammps.formats module, which provides classes to post-process some of the output files generated by LAMMPS.

Output formats for LAMMPS python module Written by Richard Berger <richard.berger@outlook.com> and Axel Kohlmeyer <akohlmey@gmail.com>

class lammps.formats.LogFile(filename)

Reads LAMMPS log files and extracts the thermo information

It supports the line, multi, and yaml thermo output styles.

Parameters:

filename (str) – path to log file

Variables:

runs – List of LAMMPS runs in log file. Each run is a dictionary with thermo fields as keys, storing the values over time
errors – List of error lines in log file

class lammps.formats.AvgChunkFile(filename)

Reads files generated by fix ave/chunk

Parameters:

filename (str) – path to ave/chunk file

Variables:

timesteps – List of timesteps stored in file
total_count – total count over time
chunks – List of chunks. Each chunk is a dictionary containing its ID, the coordinates, and the averaged quantities