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atomicorbitals

A python module implementing accurate Hartree-Fock Slater orbitals for atoms under spherical symmetry.

bench_density_gradient_wfn

WIP How close can Julia be to Fortran/C++/Rust? What matters and what is making a difference? Let's see.

cwa-app-android

Native Android app using the Apple/Google exposure notification API.

cxx.jl

The Julia C++ Interface

cxxwrap.jl

Package to make C++ libraries available in Julia

dataverse

Phython scripts to explore data from official statistics institutions or press media.

ddanieru.github.io

dml

Daniel's Math Library

emacs

configs

eyeofsauron

A molecular visualizer for QTAIM/IQA and emergent scalar fields topology.

fast-factorial-functions

Swing, divide and conquer the factorial!

hartree-fock

A simple Hartree-Fock implementation in Julia

iqa_util

Some scripts to analyze IQA results

julia-for-scientific-computing

A compilation of available packages for performing scientific computing

juliapackagewithrustdep.jl

Example of a Julia Package with Rust dependency.

libcint

general GTO integrals for quantum chemistry

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

programmingprojects

C++ Programming Tutorial in Chemistry

psi4julia

Combining Psi4 and Julia for education and development.

pyscf.jl

Julia interface to PySCF via PyCall

qchem_resources

Recopilation Quantum Chemistry resources

scialgs.jl

Fundamental scientific algorithms in Julia

sinvert_mbl_fork

Fork from https://bitbucket.org/dluitz/sinvert_mbl/src/master/

starter-academic

🎓 Easily create a beautiful academic résumé or educational website using Hugo, GitHub, and Netlify

trastero

Proofs of concept, ...

zyth0s.github.io

Personal website https://zyth0s.github.io