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cmake-skeleton

code-snippets

Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools

config.fish

My fish configuration and helper functions.

dotemacs

My configuration of emacs, gathered into a single folder.

dotvim

My configuration of vim, gathered into a single folder.

lammps

Public development project of the LAMMPS MD software package

matscipy

Materials science with Python at the atomic-scale

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

modio

A tiny CLI audio player for Mac OS X.

moleculardynamics

Class "High-Performance Computing: Molecular Dynamic with C++" at the University of Freiburg

params_toolbox

Set of functions in Python and Bash to query parameter databases.

pizza

Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for the LAMMPS molecular dynamics package.

podio

projets-numeriques-discrets

Support de cours pour LU3ME104 - Projets Numériques, sur le thème des méthodes discrètes pour solides et fluides

pytest-mpi

Pytest plugin for working with MPI

random_jury_draw

snakemake

This is the development home of the workflow management system Snakemake. For general information, see

snakemake-executor-plugin-slurm

A Snakemake executor plugin for submitting jobs to a SLURM cluster

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

spack-config

Configuration files for spack

test-skeleton-overhaul

uvw

Python package to write numpy arrays to VTK XML files