============== MOGuess Module ============== Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `Integrals_Monoelec `_ Needed Modules ============== .. Do not edit this section It was auto-generated .. by the `update_README.py` script. .. image:: tree_dependency.png * `Integrals_Monoelec `_ Documentation ============= .. Do not edit this section It was auto-generated .. by the `update_README.py` script. `ao_ortho_canonical_nucl_elec_integral `_ Undocumented `ao_ortho_lowdin_coef `_ 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 `_ Undocumented `ao_ortho_lowdin_overlap `_ overlap matrix of the ao_ortho_lowdin supposed to be the Identity `h_core_guess_prog `_ Produce `H_core` MO orbital output: mo_basis.mo_tot_num mo_basis.mo_label mo_basis.ao_md5 mo_basis.mo_coef mo_basis.mo_occ `hcore_guess `_ Produce `H_core` MO orbital