sportran.i_o.read_lammps_log

Functions

data_length(file)
file_length(file)
is_string(string)
is_vector_variable(string)
main()	This script extracts the desired columns from a LAMMPS Log file and saves them into a Numpyz file for later use.
save_numpy_dict(lammpslogfile_obj, out_file)	Takes a LAMMPSLogFile object, a LAMMPS structure data file (optional), takes

Classes

LAMMPSLogFile(data_file[, run_keyword, ...])

A package that reads a LAMMPS Log file and organizes it into a dictionary according to the column headers.

sportran.i_o.read_lammps_log.data_length(file)

sportran.i_o.read_lammps_log.file_length(file)

sportran.i_o.read_lammps_log.is_string(string)

sportran.i_o.read_lammps_log.is_vector_variable(string)

sportran.i_o.read_lammps_log.main()

This script extracts the desired columns from a LAMMPS Log file and saves them into a Numpyz file for later use.

Example: start reading when “PRODUCTION RUN” is found, read “flux1” and “Press” columns from log.lammps log file and structure.data data file (containing structure):

python read_lammps_log.py log.lammps structure.data out.npz -k flux1 Press -d “PRODUCTION RUN”

sportran.i_o.read_lammps_log.save_numpy_dict(lammpslogfile_obj, out_file, select_ckeys=None, lammps_data_file=None)

Takes a LAMMPSLogFile object, a LAMMPS structure data file (optional), takes the desired columns and save data into a Numpyz file.

Parameters

• lammpslogfile_obj = LAMMPSLogFile object

• out_file = numpy output file to be saved

• select_ckeys = name of variables to be saved

• lammps_data_file = LAMMPS data file containing the structure information – (generated using the write_data command)

  # example to save data into a Numpyz file: save_numpy_dict(lammpslogfile_object, ‘flux.npy’, [‘flux’], ‘lammps.data’)