theonov13
Interested in programming languages (Python, Julia) and their educational and effective usage in computational science.
CASUSGörlitz, Germany
Pinned Repositories
atoMEC
Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
best-of-python-dev
🏆 A ranked list of awesome python developer tools and libraries. Updated weekly.
CompPhysics
Computational Physics codes
DftFunctionals.jl
Interface and Julia implementation of exchange-correlation functionals
functional
use maple together with python codes to automatically generate functional derivatives code for FORTRAN
harpy
Hartree-Fock Python
hello_world
some test
Neural-Network
Machine Learning library for educational purpose.
PyTODO
PyTODO.py - a pythonian way to handle tasks from the command line
theonov13's Repositories
theonov13/PyTODO
PyTODO.py - a pythonian way to handle tasks from the command line
theonov13/DftFunctionals.jl
Interface and Julia implementation of exchange-correlation functionals
theonov13/Neural-Network
Machine Learning library for educational purpose.
theonov13/atoMEC
Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
theonov13/best-of-python-dev
🏆 A ranked list of awesome python developer tools and libraries. Updated weekly.
theonov13/CompPhysics
Computational Physics codes
theonov13/functional
use maple together with python codes to automatically generate functional derivatives code for FORTRAN
theonov13/harpy
Hartree-Fock Python
theonov13/hello_world
some test
theonov13/ImplementingDFT
Draft for my book about implementing density functional theory
theonov13/jdftx
JDFTx: software for joint density functional theory
theonov13/julia-bootcamp-2022
theonov13/JuliaChem.jl
A research-grade quantum chemistry program written in Julia
theonov13/jaxrts
python module for modelling x-ray Thomson scattering spectra
theonov13/kspy-uks
Spin polarized Kohn-Sham
theonov13/mala
Mirror of the mala repository. Please do not post issues or pull requests here. Use https://github.com/mala-project/mala instead.
theonov13/McMurchie-Davidson
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
theonov13/MD-Lab
Mainly a PIMD repository for research purposes.
theonov13/Mersenne-Twister-in-Python
A Mersenne Twister Random Number Generator
theonov13/PWDFT.jl
Plane wave density functional theory using Julia programming language
theonov13/pyqint
Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
theonov13/pyquante2
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
theonov13/pyscf
Python module for quantum chemistry
theonov13/pyscfad
PySCF with auto-differentiation
theonov13/qupled
Qupled is a python package that computes the thermodynamic properties of quantum plasmas via the dielectric formalism
theonov13/rpg-astra
theonov13/tinydft
A minimalistic atomic Density Functional Theory (DFT) code
theonov13/typst
A new markup-based typesetting system that is powerful and easy to learn.
theonov13/uegpy
theonov13/worm
Worm Algorithm for Bose-Hubbard and XXZ models