Pierre Beaujean's repositories
pytimefliplib
Python library to deal with TimeFlip v3 and v4
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
qcip_tools
Quantum Chemistry In Python (QCIP) tools package.
libcint-meson
libcint Meson wraps
phonopy-vibspec
Simulate IR and Raman spectra with Phonopy
pics.pierrebeaujean.net
My Own Gallery (generator)
pierrebeaujean.net
Files that generate my resume website
scalapacke
Create the missing C headers (as well as some wrappers) for scaLAPACK
AM-Nihoul-website
Code source du site web de l'association Anne-Marie Nihoul
publi-ECOBAT-nitroxides
A publication about nitroxides (aminoxyls) and their redox potential in solution (including electrolytes and ion-pairs), by Dr. P. Beaujean.
advanced-python
A presentation
amn-subscriber
Un truc quick and dirty pour stocker les inscriptions à l'infolettre
archie
A minimal Hugo Theme
blog.pierrebeaujean.net
Quantum Chemistry, programming, random thoughts, & stuffs
check-sos
Let's figure out SOS
diediedice
Play around with dice
digitalocean-droplets
Scripts, configs, & others
easybuild-easyconfigs
A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
Frac-to-cart-coordinates
A lightweight Python package for converting between fractional and Cartesian coordinates, supporting both forward and inverse transformations.
test-scalapack
Test scalapack