davpoolechem Goto Github PK
Name: David Poole
Type: User
Company: Georgia Institute of Technology
Bio: I live at the intersection of Physical Chemistry Road, Mathematics Street, and Software Engineering Avenue.
Location: Atlanta, Georgia
Name: David Poole
Type: User
Company: Georgia Institute of Technology
Bio: I live at the intersection of Physical Chemistry Road, Mathematics Street, and Software Engineering Avenue.
Location: Atlanta, Georgia
Recipe for building local Global Arrays package in Conda
GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
Testing how to write a Psi4 plugin
Demo of some modern features of C++
Automatic link generation in Hexo posts
A native Julia implementation of BLAS
A research-grade quantum chemistry program written in Julia
A Julia=>Fortran95 transcompiler specialized to create OpenMP code
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Mathematics and Arithmetic for Humans - A Julia DSL for expressive products and summations
A sample package for the 2023 MolSSI Software Fellows Bootcamp
A couple of short demos demonstrating the properties of NaNs in C++
A parallelized implementation of Fibonacci number computation using recursion
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Combining Psi4 and Numpy for education and development.
A Python => Julia transcompiler, written in Julia
Computing digits of Pi in Rust
Tutorial about how to use sphinx to automatically generate documentation
Packed-storage symmetric matrix implementation in Julia
A variational 2-RDM-driven CASSCF plugin to Psi4
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.