mirror of
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Anthony Scemama
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Conflicts: ocaml/.gitignore plugins/CAS_SD/.gitignore plugins/CAS_SD/README.rst plugins/Full_CI/.gitignore plugins/Full_CI/README.rst plugins/Hartree_Fock/.gitignore plugins/MRCC/.gitignore plugins/MRCC/README.rst plugins/MRCC/mrcc_utils.irp.f plugins/Molden/.gitignore plugins/Molden/tree_dependency.png src/Determinants/.gitignore src/Determinants/README.rst src/Ezfio_files/README.rst src/Integrals_Monoelec/.gitignore src/MOGuess/.gitignore |
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pot_mo_ortho_lowdin_ints.irp.f | ||
README.rst | ||
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============== MOGuess Module ============== Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. .. image:: tree_dependency.png * `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_ Documentation ============= .. Do not edit this section. It was auto-generated from the .. by the `update_README.py` script. `ao_ortho_lowdin_coef <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess/mo_ortho_lowdin.irp.f#L2>`_ matrix of the coefficients of the mos generated by the orthonormalization by the S^{-1/2} canonical transformation of the aos ao_ortho_lowdin_coef(i,j) = coefficient of the ith ao on the jth ao_ortho_lowdin orbital `ao_ortho_lowdin_nucl_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess/pot_mo_ortho_lowdin_ints.irp.f#L1>`_ Undocumented `ao_ortho_lowdin_overlap <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess/mo_ortho_lowdin.irp.f#L26>`_ overlap matrix of the ao_ortho_lowdin supposed to be the Identity `h_core_guess <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess/H_CORE_guess.irp.f#L1>`_ Undocumented