pierre-24
Ph.D. in quantum chemistry (October 2021, university of Namur) and Bachelor in C.S. (June 2020). Currently, postdoctoral researcher on the ECOBAT project.
University of NamurNamur, Belgium
Pinned Repositories
AM-Nihoul-website
Code source du site web de l'association Anne-Marie Nihoul
CLAP
Command-line arguments parsing (CLAP) library.
cp2k-basis
A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
ec-interface
Code to create EC interface calculations with VASP and extract data
nachos
NACHOS, the nice (Romberg) triangles!
nbc-compiler
A small fork of the NBC compiler, just to allow the compilation on latest linux versions
phonopy-vibspec
Simulate IR and Raman spectra with Phonopy
publi-ECOBAT-nitroxides
A publication about nitroxides (aminoxyls) and their redox potential in solution (including electrolytes and ion-pairs), by Dr. P. Beaujean.
pyiso4
Implementation of the ISO 4 standard for journal titles abbreviations in Python.
pytimefliplib
Python library to deal with TimeFlip v3 and v4
pierre-24's Repositories
pierre-24/pytimefliplib
Python library to deal with TimeFlip v3 and v4
pierre-24/pyiso4
Implementation of the ISO 4 standard for journal titles abbreviations in Python.
pierre-24/cp2k-basis
A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
pierre-24/ec-interface
Code to create EC interface calculations with VASP and extract data
pierre-24/qcip_tools
Quantum Chemistry In Python (QCIP) tools package.
pierre-24/just-psf
Just get me a topology, for god’s sake!
pierre-24/libcint-meson
libcint Meson wraps
pierre-24/pics.pierrebeaujean.net
My Own Gallery (generator)
pierre-24/pierrebeaujean.net
Files that generate my resume website
pierre-24/scalapacke
Create the missing C headers (as well as some wrappers) for scaLAPACK
pierre-24/AM-Nihoul-website
Code source du site web de l'association Anne-Marie Nihoul
pierre-24/nachos
NACHOS, the nice (Romberg) triangles!
pierre-24/phonopy-vibspec
Simulate IR and Raman spectra with Phonopy
pierre-24/publi-ECOBAT-nitroxides
A publication about nitroxides (aminoxyls) and their redox potential in solution (including electrolytes and ion-pairs), by Dr. P. Beaujean.
pierre-24/amn-subscriber
Un truc quick and dirty pour stocker les inscriptions à l'infolettre
pierre-24/archie
A minimal Hugo Theme
pierre-24/blog.pierrebeaujean.net
Quantum Chemistry, programming, random thoughts, & stuffs
pierre-24/check-sos
Let's figure out SOS
pierre-24/diediedice
Play around with dice
pierre-24/digitalocean-droplets
Scripts, configs, & others
pierre-24/doxide
Modern documentation for modern C++. Configure with YAML, output Markdown, post-process with Material for MkDocs.
pierre-24/Frac-to-cart-coordinates
A lightweight Python package for converting between fractional and Cartesian coordinates, supporting both forward and inverse transformations.
pierre-24/intro-git
An interactive introduction to git
pierre-24/libcint
general GTO integrals for quantum chemistry
pierre-24/LUMI-EasyBuild-contrib
A repository for contributed EasyConfig files that LUMI users can install at their own discretion or use as a starting base for their own build recipes.
pierre-24/publi-ECOBAT-sulfox
Because I have a lot of data, and they should not be wasted
pierre-24/test-repo-git
Test repo for git tutorial
pierre-24/test-scalapack
Test scalapack
pierre-24/test_lecture_git
pierre-24/Unity
Simple Unit Testing for C