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