Matthias Krack's repositories
aiida-common-workflows
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
aiida-core
The official repository for the AiiDA code
aiida-cp2k
The CP2K plugin for the AiiDA workflow and provenance engine.
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-submission-controller
Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
aiida-vasp
A plugin to AiiDA for running simulations with VASP
commonwf-oxides-scripts
Scripts to facilitate the common-workflow project on oxides
cp2k-ci
CP2K Continuous Integration
cp2k-feedstock
A conda-smithy repository for cp2k.
cp2k-input-tools
Fully validating pure-python CP2K input file tools including preprocessing capabilities
cp2k-output-tools
Python tools to handle CP2K output files
DFTK.jl
Density-functional toolkit
edrixs
An open source toolkit for simulating RIXS spectra based on ED
fprettify
auto-formatter for modern fortran source code
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
wannier90
Official repository of the Wannier90 code