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ASSUMPTIONS.rst | ||
cas_sd_selected.irp.f | ||
cas_sd.irp.f | ||
EZFIO.cfg | ||
H_apply.irp.f | ||
Makefile | ||
NEEDED_CHILDREN_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. * `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Perturbation>`_ * `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_ * `Generators_CAS <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_CAS>`_