Sebastian Schwalbe's repositories
Neural-Network
Machine Learning library for educational purpose.
CompPhysics
Computational Physics codes
hello_world
some test
ImplementingDFT
Draft for my book about implementing density functional theory
JuliaChem.jl
A research-grade quantum chemistry program written in Julia
kspy-uks
Spin polarized Kohn-Sham
mala
Mirror of the mala repository. Please do not post issues or pull requests here. Use https://github.com/mala-project/mala instead.
McMurchie-Davidson
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
MD-Lab
Mainly a PIMD repository for research purposes.
Mersenne-Twister-in-Python
A Mersenne Twister Random Number Generator
pyscfad
PySCF with auto-differentiation
qupled
Qupled is a python package that computes the thermodynamic properties of quantum plasmas via the dielectric formalism
typst
A new markup-based typesetting system that is powerful and easy to learn.
variational-quantum-monte-carlo
2014: Variational Monte Carlo for the harmonic oscillator, helium, hydrogen and H2 - IPython notebook and FORTRAN90
worm
Worm Algorithm for Bose-Hubbard and XXZ models