qsimulate-open/zquatev
Diagonalization of quaternionic matrices to yield symmetry-adapted eigenvectors.
Developer Profile
qsimulate-open
Discovered public repositories for qsimulate-open in the GitHub catalog.
qsimulate-open/bagel
Brilliantly Advanced General Electronic-structure Library
qsimulate-open/smith1
Stone-age program for arbitrary-order CC and CC-F12 (2007-2009)
qsimulate-open/libslater
Provides roots and weights for Rys-like quadrature in Slater/Yukawa integral evaluation
qsimulate-open/smith3
SMITH3 generates efficient code for CASPT2 nuclear gradient (and beyond)
qsimulate-open/smith2
Automated code generation program for general order CC and CC-F12 methods