mo_comps function to estimate AO contributions
mo_comps function to estimate AO contributions

sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf,gkc1000/pyscf,sunqm/pyscf,sunqm/pyscf