[Wavepacket-user] Version 7.2.0 released (18-Jan-2024)

[Burkhard S. <bur...@fu...>]

Dear friends of the Matlab version of WavePacket,

this is to announce the recent release of version 7.2.0 (Git hash value 
36a004bb...)
which provides a number of useful extensions and fixes to our software 
package:

* Added several variants of FSSH, among them the FSSH-2 described
     in https://doi.org/10.20347/WIAS.PREPRINT.3071
* Added a variant of SSSH with a different hop criterion
* Added a variant of QTSH with a different equation of motion
* Added the trapezoidal rule for propagating the electronic amplitudes
* Added several potential energy models: mainly linear vibronic coupling
     with conical intersections
* For momentum re-scaling, simply use the norm of the NAC vectors
* Fixed initial conditions for the splitting schemes
* Improved bookkeeping of sub-steps in short time propagators
* Minor changes of a few initial wave functions

Best regards from Berlin/Germany
Burkhard

-- 
*----------------------------+--------------------------------------*
| PD Dr. Burkhard Schmidt    | Email: bur...@fu... |
| Freie Universitaet Berlin  | Web site: https://www.qcmd.info      |
*----------------------------+--------------------------------------*