option to exclude core orbs from the AVAS method
option to exclude core orbs from the AVAS method

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