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Version 6.0.1 released (21-Feb-2019)

This version (Git hash value 87b7556...) is mainly a maintenance release, serving to fix a few minor bugs. Among others, we fixed some inconsistencies wrt the order of some of the numerical propagation schemes. Unfortunately, this leads to minor issues with backward incompatibility. As of now, the choice of propagators is based on the local discretization error of the positions. In the table below, the third and fourth columns refer to objects of class "wave" and class "traj", respectively

time.propa time.propa.order quantum propagator classical propagators
splitting 1 Lie-Trotter March frog
2 Strang-Marchuk Leap frog
3 not available Beeman
4 not available Yoshida
differencing 2 second order differencing Velocity Verlet
3 not available Stoermer Verlet ¹

¹ local discretization error of momenta differing: O(1)

Hence, the Strang-Marchuk operator splitting (a good choice for most quantum propagations) is selected by the following commands

time.propa = tmp.splitting;
time.propa.order = 2;

Posted by Burkhard Schmidt 2019-02-19

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