|
| subroutine, public | opt_control_oct_m::opt_control_run (system) |
| |
| subroutine | opt_control_oct_m::opt_control_run_legacy (sys) |
| | This is the main procedure for all types of optimal control runs. It is called from the "run" procedure in the "run_m" module. More...
|
| |
| subroutine | scheme_straight_iteration () |
| |
| subroutine | scheme_mt03 () |
| |
| subroutine | scheme_wg05 () |
| |
| subroutine | scheme_zbr98 () |
| |
| subroutine | scheme_cg () |
| |
| subroutine | scheme_direct () |
| |
| subroutine | scheme_nlopt () |
| |
| subroutine | opt_control_oct_m::f_zbr98 (sys, td, qcpsi, prop_psi, prop_chi, par) |
| |
| subroutine | opt_control_oct_m::f_wg05 (sys, td, qcpsi, par, prop_psi, prop_chi, j1) |
| |
| subroutine | opt_control_oct_m::f_striter (sys, td, par, j1) |
| |
| subroutine | opt_control_oct_m::f_iter (sys, td, qcpsi, par, prop_psi, prop_chi, j1) |
| |
| subroutine | opt_control_oct_m::opt_control_nlopt_func (val, n, x, grad, need_gradient, f_data) |
| |
| subroutine, public | opt_control_oct_m::opt_control_function_forward (x, f) |
| |
| subroutine, public | opt_control_oct_m::opt_control_cg_calc (n, x, f, getgrad, df) |
| |
| subroutine, public | opt_control_oct_m::opt_control_cg_write_info (iter, n, val, maxdx, maxdf, x) |
| | interface is required by its being passed as dummy routine to minimize_multidim More...
|
| |
| subroutine, public | opt_control_oct_m::opt_control_direct_calc (n, x, f) |
| | No intents here is unfortunately required because this will be passed to newuoa routines as a dummy function, whose interface has no intents. More...
|
| |
| subroutine, public | opt_control_oct_m::opt_control_direct_message_info (iter, n, val, maxdx, x) |
| |
| subroutine | opt_control_oct_m::check_faulty_runmodes (sys, tr) |
| |
| subroutine | opt_control_oct_m::oct_finalcheck (sys, td) |
| |
|
| type(filter_t), save | opt_control_oct_m::filter |
| | Module variables. More...
|
| |
| type(oct_t), save | opt_control_oct_m::oct |
| |
| type(oct_iterator_t), save | opt_control_oct_m::iterator |
| |
| type(target_t), save | opt_control_oct_m::oct_target |
| |
| type(opt_control_state_t), save | opt_control_oct_m::initial_st |
| |
| type(controlfunction_t), save | opt_control_oct_m::par_ |
| | For the direct, nlopt, and cg schemes: More...
|
| |
| type(electrons_t), pointer | opt_control_oct_m::sys_ |
| |
| type(hamiltonian_elec_t), pointer | opt_control_oct_m::hm_ |
| |
| type(td_t), pointer | opt_control_oct_m::td_ |
| |
| real(real64), dimension(:), allocatable | opt_control_oct_m::x_ |
| |
| integer | opt_control_oct_m::index_ |
| |
1.9.4