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analisi

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analisi: your Swiss Army Knife of molecular dynamics analysis

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::analisi

Usage Tracking

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Downloads (Last 6 months): 0

Description

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...

About

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

win-64
linux-64
macOS-arm64
macOS-64
linux-aarch64
linux-ppc64le