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ASSUMPTIONS.rst | ||
cas_sd_selected.irp.f | ||
cas_sd.irp.f | ||
EZFIO.cfg | ||
H_apply.irp.f | ||
Makefile | ||
NEEDED_MODULES | ||
README.rst |
====================== CAS_SD_selected Module ====================== Selected CAS + SD module. 1) Set the different MO classes using the ``qp_set_mo_class`` command 2) Run the selected CAS+SD program Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `full_ci <http://github.com/LCPQ/quantum_package/tree/master/src/CAS_SD/cas_sd_selected.irp.f#L1>`_ Undocumented Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `AOs <http://github.com/LCPQ/quantum_package/tree/master/src/AOs>`_ * `Bielec_integrals <http://github.com/LCPQ/quantum_package/tree/master/src/Bielec_integrals>`_ * `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_ * `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_ * `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_ * `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_ * `Generators_CAS <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_CAS>`_ * `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock>`_ * `MOGuess <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess>`_ * `MonoInts <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts>`_ * `MOs <http://github.com/LCPQ/quantum_package/tree/master/src/MOs>`_ * `Nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Nuclei>`_ * `Output <http://github.com/LCPQ/quantum_package/tree/master/src/Output>`_ * `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Perturbation>`_ * `Properties <http://github.com/LCPQ/quantum_package/tree/master/src/Properties>`_ * `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_ * `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_