TDSystemPropagator
TDSystemPropagator
Section Time-Dependent::Propagation
Type integer
Default static
A variable to set the propagator in the multisystem framework.
This is a temporary solution, and should be replaced by the
TDPropagator variable.
Options:
- static:
(Experimental) Do not propagate the system in time.
- verlet:
(Experimental) Verlet propagator.
- beeman:
(Experimental) Beeman propagator without predictor-corrector.
- beeman_scf:
(Experimental) Beeman propagator with predictor-corrector scheme.
- exp_mid_2step:
(Experimental) Exponential midpoint propagator without predictor-corrector.
- exp_mid_2step_scf:
(Experimental) Exponential midpoint propagator with predictor-corrector scheme.
- prop_aetrs:
(Experimental) Approximate ETRS propagator
- prop_rk4:
(Experimental) RK4 propagator
- prop_expmid:
(Experimental) Exponential midpoint propagator with extrapolation.
- prop_leapfrog:
(Experimental) Leap frog algorithm
- prop_bomd:
(Experimental) Born-Oppenheimer MD propagator for the matter system.
- prop_exp_gauss1:
(Experimental) Exponential RK method with a Gauss quadrature rule with one point (second order)
see also Hochbruck, M. & Ostermann, A.: Exponential Runge–Kutta methods for parabolic
problems. Applied Numerical Mathematics 53, 323–339 (2005).
- prop_exp_gauss2:
(Experimental) Exponential RK method with a Gauss quadrature rule with two points (fourth order)
see also Hochbruck, M. & Ostermann, A.: Exponential Runge–Kutta methods for parabolic
problems. Applied Numerical Mathematics 53, 323–339 (2005).