Options for Equation of State fitting

Last updated

Jul 25, 2024

Author

Gianfranco Ulian

The options for the interactive Equation of State fitting procedure are reported below. This is the output of the quantas eos -h.

Usage: quantas eosfit [OPTIONS] FILENAME

  Equation of state (EoS) fitting.

  This command requires a file (FILENAME) that will be read to provide the
  input data for the calculations.

Options:
  -o, --outfile out_file  Output file for EoS log, without extension.
  --punit [GPa]           Measurement unit for pressure values.  [default:
                          (GPa)]
  --vunit [A]             Measurement unit for volume values.  [default: (A)]
  -h, --help              Show this message and exit.