Guide to my Github Repositories

This post is a short guide to my Github repositories.

Some of them I use as a wiki for keeping information. Markdown makes adding and editing text easy, and it can also contain code.

Other repositories have more code to explore a particular topic. I should expand on some of these topics in future blog posts. (Especially the contents and use of the "QMC Algorithms" repository. It's used as a base for creating validated unit test data for QMCPACK, and it's a direction I think more projects should move towards.)

Wiki-like Information

GPU Internals - Documentation on how GPUs work and programming models

ML in scientific computation - Machine learning and scientific computation

Programming Ideas

Next Steps in Programming - Ideas on programming scientific applications. Includes a focus on code changes a first class/primary object in programming.

Programming Tutorial Maker - Attempt at a tool to make writing incremental tutorials easier.

Scientific Computing

QMC Algorithms - Scripts, Jupyter notebooks, Sympy derivations, and code generation to support validating QMC codes. (Also here)

QMC Kernels - Kernels used in Quantum Monte Carlo in general, and QMCPACK in particular. Also some simple kernels used to explore GPU offload programming models.

Small Molecules - Example input files for quantum chemistry packages and information on various small molecules.

Quadrature - Multidimensional quadrature algorithms. (Technically "cubature"). In addition to notes and links, this has some implementations.

Floating point - Floating point arithmetic. Particularly for exploring low precision. (the 'silver' part of the repository name comes from Github's initial repository name suggestion)

Symbolic Derivatives with Code Generation Represents scientific computations using Sympy. It can take derivatives symbolically, then code generate the result to Python, Julia or C++.

Multitevo Translation of CoMD molecular dynamics miniapp to other languages, such as Python and Julia. And Javascript, should I get it checked-in and pushed.