program casscf implicit none BEGIN_DOC ! TODO : Put the documentation of the program here END_DOC no_vvvv_integrals = .True. SOFT_TOUCH no_vvvv_integrals call run end subroutine run implicit none double precision :: energy_old, energy logical :: converged converged = .False. energy = 0.d0 ! do while (.not.converged) N_det = 1 TOUCH N_det psi_det psi_coef call run_cipsi write(6,*) ' total energy = ',eone+etwo+ecore call driver_optorb energy_old = energy energy = eone+etwo+ecore converged = dabs(energy - energy_old) < 1.d-10 ! enddo end