Stefano Battaglia's repositories
MolecularIntegrals
A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals
Lebedev.jl
Lebedev quadrature rule for the integration over the surface of a sphere. Written in pure Julia.
BittrexAPI.jl
Unofficial implementation of the bittrex (www.bittrex.com) exchange REST API in Julia
QuantumChemistry.jl
A quantum chemistry package written in pure Julia
SecondQuantization.jl
Second quantization formalism in Julia
AdventOfCode2020
My solutions to the Advent of Code 2020 puzzles
CheatSheet
A repository containing cheatsheets of different programs
cp2k
Quantum chemistry and solid state physics software package
Crypto.jl
An attempt to a cryptocurrencies trading bot in Julia
DLPOLY.jl
Utilities for DL_POLY
ILJ
Improved Lennard Jones implementation in Julia
JMol_scripts
Some scripts to generate images and videos with Jmol
JuHam.jl
Simulate model Hamiltonians with Julia
MLWavefunction
Case studies for the machine learning wavefunction chapter
qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
QCScripts
Set of scripts to run quantum chemical programs
QCtools.jl
Some handy quantum chemical tools
SecondQuantizationAlgebra
Software package to handle the many-fermionic operator
trexio
TREX I/O library