Matthew McAllister Davis's repositories
aug-gen
Create arbitrarily diffuse (n-aug) Dunning basis sets
BanditOpt.jl
A Julia package for experimenting with Multi-Armed Bandits
dask-tutorial
Dask tutorial
Fermi.jl
Fermi quantum chemistry program
julia
The Julia Language: A fresh approach to technical computing.
Lints_CXX
C++ backend for Lints
Methods
Methods in Quantum Chemistry using PSI4 interface
NECI_STABLE
Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
optavc
Parallel finite difference optimization and hessians from arbitrary single point energies
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
psi4tolog
psi4 frequencies to log files
pyscf
Python module for quantum chemistry
summer-program
Repository for all summer program related programs
tblis
TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.
TBLIS.jl
Julia wrapper for TBLIS tensor contraction library.
www.julialang.org
Julia Project website
Yggdrasil
Collection of builder repositories for BinaryBuilder.jl