Stars
A header only library that implements the defer command in C++.
Fortran BACKTRACE without compiler extensions
GitHub Action for advanced repository traffic analysis and reporting
Multiresolution Adaptive Numerical Environment for Scientific Simulation
DBCSR: Distributed Block Compressed Sparse Row matrix library
Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry
MSCCL++: A GPU-driven communication stack for scalable AI applications
A place to store information for the tensor discussions and possible specifications.
Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
Fast and full-featured Matrix Market I/O library for C++, Python, and R
QUICK: A GPU-enabled ab intio quantum chemistry software package
A modern C++ library for high-performance configuration interaction methods
LAPACK++ is a C++ wrapper around CPU and GPU LAPACK and LAPACK-like linear algebra libraries, developed as part of the SLATE project.
BLAS++ is a C++ wrapper around CPU and GPU BLAS (basic linear algebra subroutines), developed as part of the SLATE project.
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 d…
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
Reference implementation of GW
HPCToolkit performance tools: measurement and analysis components
HIP: C++ Heterogeneous-Compute Interface for Portability
An application-focused API for memory management on NUMA & GPU architectures
Implementation of SYCL and C++ standard parallelism for CPUs and GPUs from all vendors: The independent, community-driven compiler for C++-based heterogeneous programming models. Lets applications …