Pinned Repositories
adcc
adcc: Seamlessly connect your program to ADC
AtomsBase.jl
A Julian abstract interface for atomic structures.
DFTK.jl
Density-functional toolkit
2022-rwth-julia-workshop
Material for the RWTH Julia workshop on 17th and 18th February 2022
AtomsIO.jl
Standard input/output package for AtomsBase-compatible structures
awk-course
Material for the "Introduction to awk programming" course at Heidelberg University
bash-course
Material for the advanced bash scripting course at Heidelberg University
course_julia_day
Notes for getting to know the Julia programming language in one day.
julia-for-materials
Material of the seminar "Julia for Materials Modelling"
juliacon_dft_workshop
A mathematical look on density-functional theory and DFTK
mfherbst's Repositories
mfherbst/julia-for-materials
Material of the seminar "Julia for Materials Modelling"
mfherbst/awk-course
Material for the "Introduction to awk programming" course at Heidelberg University
mfherbst/2022-rwth-julia-workshop
Material for the RWTH Julia workshop on 17th and 18th February 2022
mfherbst/AtomsIO.jl
Standard input/output package for AtomsBase-compatible structures
mfherbst/ReducedBasis.jl
Reduced basis methods for parametrised eigenproblems
mfherbst/down-frab-videos
Download videos and lecture attachments from CCC events
mfherbst/2023-rwth-dft-hackaton
RWTH Aachen physical chemistry DFT hackaton
mfherbst/2022-sustech-julia-workshop
Material for the SUStech Julia workshop from 5th till 7th October 2022
mfherbst/dftk-workshop-material
mfherbst/ASEconvert.jl
mfherbst/AtomsView.jl
Visualising AtomsBase-compatible structures
mfherbst/AiidaDFTK.jl
Julia-side implementation of the Aiida plugin of DFTK
mfherbst/2024-siamla-minitutorial
SIAM LA 2024 electronic structure minitutorial
mfherbst/Brillouin.jl
Brillouin zones and paths for dispersion calculations in Julia.
mfherbst/AMDGPU.jl
AMD GPU (ROCm) programming in Julia
mfherbst/Chemfiles.jl
Julia bindings to chemfiles
mfherbst/CUBE.jl
Julia package to read / save Gaussian CUBE files
mfherbst/CUDA.jl
CUDA programming in Julia.
mfherbst/DFTK-testproblems
mfherbst/ExtXYZ.jl
Extended XYZ read/write support for Julia
mfherbst/InteratomicPotentials.jl
Contains methods and types for a variety interatomic potentials.
mfherbst/juliamolsim-demo
mfherbst/mfhBin
Helpful scripts for everyday work
mfherbst/MPI.jl
MPI wrappers for Julia
mfherbst/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
mfherbst/pyddx-feedstock
A conda-smithy repository for pyddx.
mfherbst/ReviewTools.jl
Review tools for Juliacon
mfherbst/Spglib.jl
A Julia wrapper for the spglib C-API
mfherbst/wannier-ecosystem-registry
A registry of codes composing the "Wannier Software Ecosystem"
mfherbst/Yggdrasil
Collection of builder repositories for BinaryBuilder.jl