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AiidaDFTK.jl Public
Julia-side implementation of the Aiida plugin of DFTK
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supporting-my-inversion Public
Kohn–Sham inversion with mathematical guarantees
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AtomsView.jl Public
Visualising AtomsBase-compatible structures
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AtomsIO.jl Public
Standard input/output package for AtomsBase-compatible structures
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www.julialang.org Public
Forked from JuliaLang/www.julialang.orgJulia Project website
Julia Other UpdatedJul 26, 2024 -
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ExtXYZ.jl Public
Forked from libAtoms/ExtXYZ.jlExtended XYZ read/write support for Julia
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ReducedBasis.jl Public
Reduced basis methods for parametrised eigenproblems
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2024-siamla-minitutorial Public
SIAM LA 2024 electronic structure minitutorial
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CUBE.jl Public
Julia package to read / save Gaussian CUBE files
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wannier-ecosystem-registry Public
Forked from wannier-developers/wannier-ecosystem-registryA registry of codes composing the "Wannier Software Ecosystem"
Python MIT License UpdatedFeb 19, 2024 -
mfhBin Public
Helpful scripts for everyday work
Python GNU General Public License v3.0 UpdatedFeb 16, 2024 -
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
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down-frab-videos Public
Download videos and lecture attachments from CCC events
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Brillouin.jl Public
Forked from thchr/Brillouin.jlBrillouin zones and paths for dispersion calculations in Julia.
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InteratomicPotentials.jl Public
Forked from cesmix-mit/InteratomicPotentials.jlContains methods and types for a variety interatomic potentials.
Julia MIT License UpdatedDec 6, 2023 -
Yggdrasil Public
Forked from JuliaPackaging/YggdrasilCollection of builder repositories for BinaryBuilder.jl
Julia Other UpdatedNov 11, 2023 -
Spglib.jl Public
Forked from singularitti/Spglib.jlA Julia wrapper for the spglib C-API
Julia MIT License UpdatedOct 13, 2023 -
Chemfiles.jl Public
Forked from chemfiles/Chemfiles.jlJulia bindings to chemfiles
Julia Other UpdatedAug 17, 2023 -
MPI.jl Public
Forked from JuliaParallel/MPI.jlMPI wrappers for Julia
Julia The Unlicense UpdatedAug 15, 2023 -
AMDGPU.jl Public
Forked from JuliaGPU/AMDGPU.jlAMD GPU (ROCm) programming in Julia
Julia Other UpdatedJul 24, 2023 -
julia-for-materials Public
Material of the seminar "Julia for Materials Modelling"
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pyddx-feedstock Public
Forked from conda-forge/pyddx-feedstockA conda-smithy repository for pyddx.
BSD 3-Clause "New" or "Revised" License UpdatedJun 7, 2023 -
awk-course Public
Material for the "Introduction to awk programming" course at Heidelberg University
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CUDA.jl Public
Forked from JuliaGPU/CUDA.jlCUDA programming in Julia.
Julia Other UpdatedApr 14, 2023 -
2023-rwth-dft-hackaton Public
RWTH Aachen physical chemistry DFT hackaton
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2022-sustech-julia-workshop Public
Material for the SUStech Julia workshop from 5th till 7th October 2022