/md_utilities

Molecular Dynamics Utilities

Primary LanguagePython

lammps_utilities

LAMMPS utilities

  • read_logfile()
    Function to read a LAMMPS log file and extract the thermodynamic output of them.

  • get_dof()
    Function to extract the number of degree of freedom from a LAMMPS logfile.

  • read_ave_time()
    Function to parse a output file generated by fix ave/time from LAMMPS.

  • read_dump()
    Generator to read dump files.

plumed_utils

PLUMED utilities