Matthew McAllister Davis (mdav2)

mdav2

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Location:Athens, GA

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FermiQC

Matthew McAllister Davis's repositories

JuES.jl

Quantum chemical simulation in Julia

esmethods

some implementations (not necessarily good ones!) of electronic structure methods in python3, Julia, and C++

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Lints.jl

Julia interface to LibInt

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aug-gen

Create arbitrarily diffuse (n-aug) Dunning basis sets

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BanditOpt.jl

A Julia package for experimenting with Multi-Armed Bandits

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dask-tutorial

Dask tutorial

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Fermi.jl

Fermi quantum chemistry program

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julia

The Julia Language: A fresh approach to technical computing.

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Lints_CXX

C++ backend for Lints

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Methods

Methods in Quantum Chemistry using PSI4 interface

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NECI_STABLE

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

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optavc

Parallel finite difference optimization and hessians from arbitrary single point energies

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psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

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psi4numpy

Combining Psi4 and Numpy for education and development.

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psi4tolog

psi4 frequencies to log files

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pyscf

Python module for quantum chemistry

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summer-program

Repository for all summer program related programs

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tblis

TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.

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TBLIS.jl

Julia wrapper for TBLIS tensor contraction library.

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www.julialang.org

Julia Project website

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Yggdrasil

Collection of builder repositories for BinaryBuilder.jl

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