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Lawerence Berkeley National Lab
- Berkeley, CA
- wavefunction91.github.io
- https://orcid.org/0000-0003-2735-3706
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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…
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ExchCXX Public
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
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MACIS Public
A modern C++ library for high-performance configuration interaction methods
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linalg-cmake-modules Public
A set of CMake Modules for robust linear algebra discovery
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IntegratorXX Public
Reusable DFT Grids for the Masses
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trexio Public
Forked from TREX-CoE/trexioTREX I/O library
C BSD 3-Clause "New" or "Revised" License UpdatedNov 9, 2023 -
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scalapackpp Public
C++17 Wrapper for ScaLAPACK
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blaspp Public
Forked from icl-utk-edu/blasppC++ BSD 3-Clause "New" or "Revised" License UpdatedSep 19, 2023 -
lapackpp Public
Forked from icl-utk-edu/lapackppC++ BSD 3-Clause "New" or "Revised" License UpdatedSep 9, 2023 -
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skywalking-eyes Public
Forked from apache/skywalking-eyesA full-featured license tool to check and fix license headers and resolve dependencies' licenses.
Go Apache License 2.0 UpdatedJun 1, 2023 -
CMakePackagingProject Public
Forked from CMakePP/CMaizeA C++ dependency manager written in CMake
CMake Apache License 2.0 UpdatedMay 18, 2023 -
blacspp Public
Modern C++ (C++17) wrappers for BLACS
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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
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tiledarray Public
Forked from ValeevGroup/tiledarrayA massively-parallel, block-sparse tensor framework written in C++
C++ GNU General Public License v3.0 UpdatedOct 26, 2021 -
libint Public
Forked from evaleev/libintLibint is a high-performance library for computing Gaussian integrals in quantum mechanics
C++ Other UpdatedFeb 11, 2021 -
LibPFASST Public
Forked from libpfasst/LibPFASSTA lightweight implementation of the PFASST algorithm
Jupyter Notebook Other UpdatedJan 28, 2021 -
gau2grid Public
Forked from dgasmith/gau2gridFast computation of a gaussian and its derivative on a grid
Python BSD 3-Clause "New" or "Revised" License UpdatedJan 2, 2021 -
BTAS Public
Forked from ValeevGroup/BTASBasic Tensor Algebra Subroutines
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METIS Public
Forked from KarypisLab/METISMETIS - Serial Graph Partitioning and Fill-reducing Matrix Ordering
C Other UpdatedMar 7, 2020 -
dvcxx Public
Modern C++ GPU memory management
C++ BSD 3-Clause "New" or "Revised" License UpdatedJan 30, 2020 -
cmake-modules Public
Collection of modern CMake modules that target HPC software
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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.
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