Projects in Awesome Lists by wavefunction91
A curated list of projects in awesome lists by wavefunction91 .
https://github.com/wavefunction91/GauXC
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.
Last synced: 09 Jul 2025
https://github.com/wavefunction91/gauxc
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.
Last synced: 10 Apr 2025
https://github.com/wavefunction91/exchcxx
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
Last synced: 15 Jun 2025
https://github.com/wavefunction91/integratorxx
Reusable DFT Grids for the Masses
density-functional-theory quadrature quantum-chemistry
Last synced: 03 Jul 2025
https://github.com/wavefunction91/macis
A modern C++ library for high-performance configuration interaction methods
Last synced: 03 Jul 2025
https://github.com/wavefunction91/haxx
HAXX (Hamilton's Quaternion Algebra for CXX) is a C++ software infrastructure for the development of efficient scalar and tensorial quaternion algorithms.
blas linear-algebra quaternion quaternion-algebra
Last synced: 10 Apr 2025
https://github.com/wavefunction91/cmake-modules
Collection of modern CMake modules that target HPC software
Last synced: 20 Jan 2026
https://github.com/wavefunction91/linalg-cmake-modules
A set of CMake Modules for robust linear algebra discovery
Last synced: 22 Jan 2026
https://github.com/wavefunction91/blacspp
Modern C++ (C++17) wrappers for BLACS
Last synced: 10 Apr 2025
https://github.com/wavefunction91/cxxblacs
A simple C++ Wrapper for BLACS along with minimal extra functionality to aid the the high-level development of distributed memory linear algebra
Last synced: 10 Apr 2025
https://github.com/wavefunction91/generalexam
My General Exam written report and presentation. In partial fulfillment of the Ph.D. requirements at the University of Washington
Last synced: 21 Jan 2026