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Conflicts: src/CISD/README.rst src/CISD/SC2.irp.f src/CISD/cisd.irp.f src/Dets/README.rst src/Dets/determinants.irp.f src/Dets/slater_rules.irp.f src/Perturbation/README.rst |
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====================== SingleDetMethod Module ====================== Include this module for single reference methods. Using this module, the only generator determinant is the Hartree-Fock determinant. Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `n_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/generators.irp.f#L3>`_ For Single reference wave functions, the number of generators is 1 : the Hartree-Fock determinant `psi_generators <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/generators.irp.f#L12>`_ For Single reference wave functions, the generator is the Hartree-Fock determinant 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>`_ * `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_ * `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_ * `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_ * `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>`_ * `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_