Ecosyste.ms: Packages
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conda-forge.org : analisi
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...
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purl: pkg:conda/analisi
License: CNRI-Python-GPL-Compatible
Latest release: almost 2 years ago
First release: about 3 years ago
Stars: 9 on GitHub
Forks: 4 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 3 days ago