/analysis_viscosity

Calcuate viscosity from HOOMD log files.

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

analysis_viscosity

This package calcuates viscosity from HOOMD log files. The main analysis code is taken from PyLat (https://github.com/MaginnGroup/PyLAT).

How to use this package

Run the parameters_main.py to calculate viscosty for the log files stored in ../simulation/{$i} folder (the relative path can be changed). Please check unit conversion in viscio.py (lines 100-115) and timestep (llog['timestep']). Default units are L:nm, E: kJ/mol, and Mass: au.

Quantities that should be logged

  • Temperature
  • All components of pressure
  • lx, ly, and lz
  • Timestep

Relevant papers