! Orbital optimization program ! This is an optimization program for molecular orbitals. It produces ! orbital rotations in order to lower the energy of a truncated wave ! function. ! This program just optimize the orbitals for a fixed number of ! determinants. This optimization process must be repeated for different ! number of determinants. ! Main program : orb_opt_trust program orb_opt read_wf = .true. ! must be True for the orbital optimization !!! TOUCH read_wf io_mo_two_e_integrals = 'None' TOUCH io_mo_two_e_integrals call run_orb_opt_trust_v2 end