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bash-course
Material for the advanced bash scripting course at Heidelberg Universitycourse_julia_day
Notes for getting to know the Julia programming language in one day.juliacon_dft_workshop
A mathematical look on density-functional theory and DFTKawk-course
Material for the "Introduction to awk programming" course at Heidelberg University2022-rwth-julia-workshop
Material for the RWTH Julia workshop on 17th and 18th February 2022AtomsIO.jl
Standard input/output package for AtomsBase-compatible structuresdown-frab-videos
Download videos and lecture attachments from CCC events2023-rwth-dft-hackaton
RWTH Aachen physical chemistry DFT hackaton2022-sustech-julia-workshop
Material for the SUStech Julia workshop from 5th till 7th October 2022julia-one-hour-intro
DFTK-benchmark
look4bas
Interactively search for Gaussian basis setsReducedBasis.jl
Reduced basis methods for parametrised eigenproblemsSelfConsistentField.jl
A Julia toolbox for coding self-consistent field algorithmsctx
Key-value C++ datastructures for organised hierarchical storageObaraSaika.jl
Julia implementation of the Obara-Saika approach to computing Gaussian integrals for Quantum chemistrycvs-relaxation-scripts
Scripts and supporting information for my joint paper with Thomas Fransson on relaxing the CVS approximationdftk-workshop-material
ASEconvert.jl
DFTK_thread_timings
dissertation
LaTeX code for my PhD thesis in electronic structure theoryerror-atomistic-simulations
Errors in first-principle atomistic simulationssupporting-ldos-preconditioning
Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theoryAtomsView.jl
Visualising AtomsBase-compatible structuresasedftk
ASE-compatible calculator for DFTKcmake-bundled-boost-python
Easily integrate boost-python as a bundled repository into a project build from CMake.exercise-sheets
DFTK-materialsproject
Replicate materialsproject data as good as we can with DFTKpammap
A tree-like string-value map for supplying parameters to a programPlaneWaveToyPrograms.jl
Some examples and test codes to play with plane-wave discretisations in Juliainria-devmeetup-julia-overview
Inria Paris developer meetup julia overview presentationLove Open Source and this site? Check out how you can help us