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aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.

appmode

A Jupyter extensions that turns notebooks into web applications.

appmode-feedstock

A conda-smithy repository for appmode.

ast2doc

auto_testing

c-libtorch

Experimental C binding for libtorch

cp2k

Quantum chemistry and solid state physics software package

cp2k-ci-test

cp2k-migration-scripts

Scripts to migrate CP2K from SVN to Git

cp2k-notebooks

cp2k_app

cp2k_ci

cp2k_dev

Ongoing development on cp2k by myself. (Stuff not yet commited to SVN)

cp2k_pkgs

dbcsr

DBCSR: Distributed Block Compressed Sparse Row matrix library

dft-transport

Quantum transport library with DFT, coupled to CP2K

dokuwiki-plugin-graphviz

Create Graphviz graphs from within DokuWiki

dokuwiki_plugin_logautherror

Plugin dokuwiki: when an authentification fail log in apache log_error. Use it with fail2ban !

e3nn

A modular framework for neural networks with Euclidean symmetry

fparse

fprettify

auto-formatter for modern fortran source code

fypp

Python powered Fortran preprocessor

imagemap-resizer

Keep HTML ImageMap scaled to image size.

jupmatcloud_apps

Turn-key solutions for the Materials Cloud

jupmatcloud_docker

ketcher

Web-based molecule sketcher

keystone_babel

A proxy for OpenStack Keystone that hides exotic identity providers

lie_learn

Computations involving Lie groups and harmonic analysis

matcloud_widgets

molview-ipywidget

MolView's Sketcher as an IPython Widget