analisi
analisi: your Swiss Army Knife of molecular dynamics analysis
analisi: your Swiss Army Knife of molecular dynamics analysis
To install this package, run one of the following:
analisi is a framework for analyzing molecular dynamics simulations. It can read lammps's binary format (other formats can be converted) and evaluate averages over the ergodic and equilibrated trajectory. Very heavy calculation can be performed in a parallel way using MPI, while multithreading is implemented also in the python interface. Example calculations are Steinhard (averaged) local order parameters, full GK integral calculation with block analysis, traditional mean square displacement and a lot more...
Summary
analisi: your Swiss Army Knife of molecular dynamics analysis
Last Updated
Nov 2, 2023 at 10:06
License
GPL-2.0-or-later
Total Downloads
685.9K
Supported Platforms
GitHub Repository
https://github.com/rikigigi/analisi