Pinned Repositories
blacspp
Modern C++ (C++17) wrappers for BLACS
BTAS
Basic Tensor Algebra Subroutines
cmake-modules
Collection of modern CMake modules that target HPC software
ExchCXX
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
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.
HAXX
HAXX (Hamilton's Quaternion Algebra for CXX) is a C++ software infrastructure for the development of efficient scalar and tensorial quaternion algorithms.
IntegratorXX
Reusable DFT Grids for the Masses
linalg-cmake-modules
A set of CMake Modules for robust linear algebra discovery
MACIS
A modern C++ library for high-performance configuration interaction methods
scalapackpp
C++17 Wrapper for ScaLAPACK
wavefunction91's Repositories
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.
wavefunction91/ExchCXX
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
wavefunction91/MACIS
A modern C++ library for high-performance configuration interaction methods
wavefunction91/IntegratorXX
Reusable DFT Grids for the Masses
wavefunction91/HAXX
HAXX (Hamilton's Quaternion Algebra for CXX) is a C++ software infrastructure for the development of efficient scalar and tensorial quaternion algorithms.
wavefunction91/scalapackpp
C++17 Wrapper for ScaLAPACK
wavefunction91/cmake-modules
Collection of modern CMake modules that target HPC software
wavefunction91/linalg-cmake-modules
A set of CMake Modules for robust linear algebra discovery
wavefunction91/blacspp
Modern C++ (C++17) wrappers for BLACS
wavefunction91/BTAS
Basic Tensor Algebra Subroutines
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
wavefunction91/wavefunction91.github.io
wavefunction91/blaspp
wavefunction91/CMakePackagingProject
A C++ dependency manager written in CMake
wavefunction91/cuda_gau_eval
wavefunction91/CV
My CV
wavefunction91/DFTNotes
Notes on spinor DFT theories
wavefunction91/dvcxx
Modern C++ GPU memory management
wavefunction91/gau2grid
Fast computation of a gaussian and its derivative on a grid
wavefunction91/lapackpp
wavefunction91/libint
Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
wavefunction91/libintx
wavefunction91/LibPFASST
A lightweight implementation of the PFASST algorithm
wavefunction91/linter-action-example
wavefunction91/METIS
METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering
wavefunction91/PhD-Thesis
wavefunction91/skywalking-eyes
A full-featured license tool to check and fix license headers and resolve dependencies' licenses.
wavefunction91/sparsexx
wavefunction91/tiledarray
A massively-parallel, block-sparse tensor framework written in C++
wavefunction91/trexio
TREX I/O library