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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| README.md | 2019-03-04 | 1.7 kB | |
| WavePacket-6.0.1.zip | 2019-02-21 | 1.6 MB | |
| Totals: 2 Items | 1.6 MB | 0 | |
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 operator splitting (a good choice for most quantum propagations) is chosen by the following commands
time.propa = tmp.splitting; time.propa.order = 2;
