Software
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
landscape
Energy landscape analysis tools built with atooms
dynamics
Newtonian and stochastic dynamics backends for atooms
parallel_tempering
Multi-CPU / multi-GPU parallel tempering
Reproducible research
My packages to manage workflows, datasets and computer models in a reproducible way
pantarei
A simple and general-purpose workflow manager - because everything flows
berni
Database of interaction models and trajectory samples for classical molecular simulations
Tools
Tools ranging from jit compilation to small scripts I used in my daily DevOps
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f2py-jit: Just-in-time Fortran extension builder for Python
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pypy-upload: Automated workflow to upload python projects to pypi
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gitcl: Minimal git changelog generator
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orgnb: Convert org-mode files to jupyter notebooks
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nohupx: Bare-bones scheduler built on nohup
Templates
Useful to quickly start new projects
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template-docs: A sphinx-based template for documentation
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template-python: A gitlab-tailored template for Python projects
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template-project: Minimal template for reproducible computational projects
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template-announcement: A template for announcements of seminars or events
Third-party
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atooms-active: An atooms backend for active matter simulations (main developer: Iacopo Ricci)
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partycls: Unsupervised learning of structure in systems of interacting particles (main developer: Joris Paret)