Software

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I am a FOSS-only computational physicist. A key part of my work is developing flexible simulation codes and analysis tools, which I use to explore physical phenomena.

Below is a short list of codes of mine, all actively maintained and hosted on framagit, plus some packages I contribute to.

Atooms

Atooms is a Python framework for simulations of interacting particles. It is composed by a base library and by several feature packages that implement complex simulation methods and analysis tools. Check out the documentation for an overview.

atooms
A framework for simulations of interacting particles

postprocessing
Post-processing tools for particle simulations

database
Database of interaction models for classical molecular dynamics and Monte Carlo simulations

landscape
Energy landscape analysis tools built with atooms

dynamics
Newtonian and stochastic dynamics backends for atooms

parallel_tempering
Multi-CPU / multi-GPU parallel tempering

Tools

f2py-jit
Just-in-time Fortran extension builder for Python

orgnb
Convert org-mode files to jupyter notebooks

pyvoro
An optimized fork of pyvoro

Templates

template-docs
A sphinx-based template for documentation

template-python
A gitlab-tailored template for Python projects

template-project
Minimal template for reproducible computational projects

template-announcement
A template for announcements of seminars or events

Third-party

atooms-active
An atooms backend for active matter simulations (main developer: Iacopo Ricci)

partycls
Unsupervised learning of structure in systems of interacting particles (main developer: Joris Paret)