2.7. Output Readers — LAMMPS documentation

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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