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@qsimulate-open QSimulate: Open source

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    6 repositories

    • bagel

      Public
      Brilliantly Advanced General Electronic-structure Library
      C++
      •
      GNU General Public License v3.0
      •47•124•36•0•Updated Mar 31, 2025Mar 31, 2025

    • libslater

      Public
      Provides roots and weights for Rys-like quadrature in Slater/Yukawa integral evaluation
      C++
      •
      GNU Lesser General Public License v2.1
      •2•5•0•0•Updated Sep 15, 2020Sep 15, 2020

    • smith1

      Public
      Stone-age program for arbitrary-order CC and CC-F12 (2007-2009)
      Python
      •
      GNU General Public License v2.0
      •1•3•0•0•Updated Sep 15, 2020Sep 15, 2020

    • smith2

      Public
      Automated code generation program for general order CC and CC-F12 methods
      C++
      •
      GNU General Public License v2.0
      •1•5•1•0•Updated Sep 15, 2020Sep 15, 2020

    • zquatev

      Public
      Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.
      C++
      •9•9•0•0•Updated Sep 15, 2020Sep 15, 2020

    • smith3

      Public
      SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)
      C++
      •
      GNU General Public License v2.0
      •10•11•0•1•Updated May 20, 2019May 20, 2019
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