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Achievement: StarstruckAchievement: YOLOAchievement: Pair Extraordinairex2Achievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

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@NWChemEx

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  • wavefunction91.github.io Public

    TeX 1 Updated Aug 15, 2024

  • GauXC Public

    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…

    dft gpu integrator
    C++ 26 18 Other Updated Jul 31, 2024

  • ExchCXX Public

    Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++

    C++ 17 16 Other Updated Jul 28, 2024

  • MACIS Public

    A modern C++ library for high-performance configuration interaction methods

    C++ 15 5 Other Updated Jul 15, 2024

  • CV Public

    My CV

    TeX Updated Jul 6, 2024

  • linalg-cmake-modules Public

    A set of CMake Modules for robust linear algebra discovery

    CMake 2 5 BSD 3-Clause "New" or "Revised" License Updated May 13, 2024

  • libintx Public

    Forked from ValeevGroup/libintx
    C++ Other Updated May 8, 2024

  • sparsexx Public

    C++ Updated Apr 22, 2024

  • IntegratorXX Public

    Reusable DFT Grids for the Masses

    density-functional-theory quantum-chemistry quadrature
    C++ 12 9 BSD 3-Clause "New" or "Revised" License Updated Jan 12, 2024

  • trexio Public

    Forked from TREX-CoE/trexio

    TREX I/O library

    C BSD 3-Clause "New" or "Revised" License Updated Nov 9, 2023

  • DFTNotes Public

    Notes on spinor DFT theories

    TeX Updated Oct 24, 2023

  • scalapackpp Public

    C++17 Wrapper for ScaLAPACK

    C++ 9 3 BSD 3-Clause "New" or "Revised" License Updated Oct 5, 2023

  • blaspp Public

    Forked from icl-utk-edu/blaspp
    C++ BSD 3-Clause "New" or "Revised" License Updated Sep 19, 2023

  • lapackpp Public

    Forked from icl-utk-edu/lapackpp
    C++ BSD 3-Clause "New" or "Revised" License Updated Sep 9, 2023

  • linter-action-example Public

    C++ Updated Jul 9, 2023

  • skywalking-eyes Public

    Forked from apache/skywalking-eyes

    A full-featured license tool to check and fix license headers and resolve dependencies' licenses.

    Go Apache License 2.0 Updated Jun 1, 2023

  • CMakePackagingProject Public

    Forked from CMakePP/CMaize

    A C++ dependency manager written in CMake

    CMake Apache License 2.0 Updated May 18, 2023

  • blacspp Public

    Modern C++ (C++17) wrappers for BLACS

    C++ 1 2 BSD 3-Clause "New" or "Revised" License Updated Oct 5, 2022

  • CXXBLACS Public archive

    A simple C++ Wrapper for BLACS along with minimal extra functionality to aid the the high-level development of distributed memory linear algebra

    C++ 1 GNU General Public License v3.0 Updated May 18, 2022

  • tiledarray Public

    Forked from ValeevGroup/tiledarray

    A massively-parallel, block-sparse tensor framework written in C++

    C++ GNU General Public License v3.0 Updated Oct 26, 2021

  • libint Public

    Forked from evaleev/libint

    Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

    C++ Other Updated Feb 11, 2021

  • LibPFASST Public

    Forked from libpfasst/LibPFASST

    A lightweight implementation of the PFASST algorithm

    Jupyter Notebook Other Updated Jan 28, 2021

  • gau2grid Public

    Forked from dgasmith/gau2grid

    Fast computation of a gaussian and its derivative on a grid

    Python BSD 3-Clause "New" or "Revised" License Updated Jan 2, 2021

  • BTAS Public

    Forked from ValeevGroup/BTAS

    Basic Tensor Algebra Subroutines

    C++ 1 BSD 3-Clause "New" or "Revised" License Updated Dec 11, 2020

  • METIS Public

    Forked from KarypisLab/METIS

    METIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering

    C Other Updated Mar 7, 2020

  • dvcxx Public

    Modern C++ GPU memory management

    C++ BSD 3-Clause "New" or "Revised" License Updated Jan 30, 2020

  • cmake-modules Public

    Collection of modern CMake modules that target HPC software

    CMake 2 Updated Nov 5, 2019

  • cuda_gau_eval Public

    C++ Updated Jun 27, 2019

  • HAXX Public archive

    HAXX (Hamilton's Quaternion Algebra for CXX) is a C++ software infrastructure for the development of efficient scalar and tensorial quaternion algorithms.

    linear-algebra quaternion blas quaternion-algebra
    Fortran 12 2 BSD 3-Clause "New" or "Revised" License Updated Mar 19, 2019

  • PhD-Thesis Public

    TeX Updated Apr 27, 2018