Developers.Variables.dynamics.md

Variable "dynamics.md" in MolDynSim

This variable specifies the choice of the propagator in MD simulations and provides, if applicable, additional parameters

@md.old_verlet	traditional Verlet scheme
No paramaters	to be specified

@md.vel_verlet	velocity Verlet scheme (Most used in stat. mech.)
No paramaters	to be specified

@md.leap_frog	leap frog scheme
No paramaters	to be specified

@md.beeman	Beeman scheme, see also here
No paramaters	to be specified

@md.gear_45678	Gear predictor-corrector scheme (Extremely high accuracy)
n_gear	Order of the Gear method. Currently implemented: 4, ..., 8

@md.euler_12	Primitive Euler 1st/2nd order (not recommended!)
No paramaters	to be specified