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QSimulate: Open source's Projects

bagel icon bagel

Brilliantly Advanced General Electronic-structure Library

libslater icon libslater

Provides roots and weights for Rys-like quadrature in Slater/Yukawa integral evaluation

smith1 icon smith1

Stone-age program for arbitrary-order CC and CC-F12 (2007-2009)

smith2 icon smith2

Automated code generation program for general order CC and CC-F12 methods

smith3 icon smith3

SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)

zquatev icon zquatev

Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.

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