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Projects in Awesome Lists by evoyiatzis

A curated list of projects in awesome lists by evoyiatzis .

https://github.com/evoyiatzis/intramolecularentropy

An implementation of Schlitter's quasi-harmonic approach to compute the intramolecular entropy of particle systems in python

molecular-dynamics

Last synced: 04 Dec 2024

https://github.com/evoyiatzis/elastic_constants

conversion of lammps scripts to python code using PyLammps interface

Last synced: 04 Dec 2024

https://github.com/evoyiatzis/gcav

Last synced: 04 Dec 2024

https://github.com/evoyiatzis/jupyter-notebooks

Jupyter notebooks for post-processing LAMMPS files

Last synced: 04 Dec 2024

https://github.com/evoyiatzis/core_shell_conversion_tool

A tool to convert a rigid-ion LAMMPS data/restart file to core-shell topology and vice versa

Last synced: 04 Dec 2024