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libint Public
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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libPerm Public
Forked from Krzmbrzl/libPermC++17 library for representing and handling of permutation groups.
C++ BSD 3-Clause "New" or "Revised" License UpdatedApr 9, 2025 -
parsec Public
Forked from ICLDisco/parsecPaRSEC is a generic framework for architecture aware scheduling and management of micro-tasks on distributed, GPU accelerated, many-core heterogeneous architectures. PaRSEC assigns computation thre…
C Other UpdatedMar 31, 2025 -
ExchCXX Public
Forked from wavefunction91/ExchCXXExchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
C++ Other UpdatedMar 31, 2025 -
deferral Public
Forked from justusc/deferralA header only library that implements the defer command in C++.
C++ MIT License UpdatedOct 30, 2024 -
tensor-interfaces Public
Forked from TAPPorg/tensor-interfacesA place to store information for the tensor discussions and possible specifications.
UpdatedMay 23, 2024 -
scalapackpp Public
Forked from wavefunction91/scalapackppC++17 Wrapper for ScaLAPACK
C++ BSD 3-Clause "New" or "Revised" License UpdatedNov 30, 2021 -
gau2grid Public
Forked from psi4/gau2gridFast computation of a gaussian and its derivative on a grid.
Python BSD 3-Clause "New" or "Revised" License UpdatedJan 11, 2021 -
blacspp Public
Forked from wavefunction91/blacsppModern C++ (C++17) wrappers for BLACS
C++ BSD 3-Clause "New" or "Revised" License UpdatedDec 29, 2020 -
IntegratorXX Public
Forked from wavefunction91/IntegratorXXC++ BSD 3-Clause "New" or "Revised" License UpdatedOct 9, 2020 -
A streamlined CMake build system foundation for developing HPC software
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DellXps7390-2in1-Manjaro-Linux-Fixes Public
Forked from endeavour/DellXps7390-2in1-Manjaro-Linux-FixesKernel patches and tweaks to get the Dell XPS 7390 2-in-1 with 10th Gen Intel CPUs functioning on Manjaro Linux
Shell UpdatedSep 23, 2019 -
mp2-primer Public
Moller--Plesset Perturbation 2: an extension on bimalgaudel/hf-primer
C++ Other UpdatedMar 21, 2019 -
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tiledarray Public
Forked from ValeevGroup/tiledarrayA massively-parallel, block-sparse tensor library written in C++
C++ GNU General Public License v3.0 UpdatedJan 4, 2019 -
Umpire Public
Forked from LLNL/UmpireAn application-focused API for memory management on NUMA & GPU architectures
C++ MIT License UpdatedAug 27, 2018 -
tblis Public
Forked from MatthewsResearchGroup/tblisTBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.
C BSD 3-Clause "New" or "Revised" License UpdatedMar 12, 2018 -
cp2k Public
Forked from vedranmiletic/cp2kMirror of official svn repository at sourceforge. Synced every 5 minutes.
Fortran UpdatedJan 1, 2017 -
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dynamo Public
simple fluid simulation program
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hyller_plusplus Public
Solves Schrodinger equation for two-electron atom in Hylleraas-type basis
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