[Wavepacket-user] New version 6.1.0 of WavePacket for Matlab released

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

Dear users of the Matlab version of WavePacket,

this message is to notify you that we have just released version 6.1.0 of our software package.
This version (Git hash value 9c8534e0...  <https://sourceforge.net/p/wavepacket/matlab/git/ci/9c8534e05e1465162a055d177e66ed4da33be90e/>) further extends the object-oriented concepts introduced
with version 6.0.x along the following lines:

  * Now the function 'qm_propa' propagates not only objects of class
    'wave' (wavefunctions represented on grids) and class 'traj'
    (densities sampled by bundles of classical trajectories) but also
    objects of class 'ket' (quantum state vectors in energy
    representation) and class 'rho' (quantum density matrices in energy
    representation) which has made the function 'qm_control' obsolete.
  * Nowe there are also (2D and 3D) bar graphs available to visualize
    propagations of objects of class 'ket' or class 'rho', respectively.
  * Now also the functions for model order reduction ('qm_matrix',
    'qm_balance', 'qm_truncate', 'qm_H2model') work with objects of
    class 'ket' and/or class 'rho' .
  * Now also the function for optimal control ('qm_optimal') works with
    objects of class 'ket' and/or class 'rho'. (A generalized version
    that also works with objects of class 'wave' would be desirable but
    is certainly not easy to realize.)
  * Now the three main classes for surface hopping ('mssh', 'fssh',
    'sssh') inherit from superclass 'traj' and partly also from each other.
  * Now there is also a SSSH version available that used gradient
    descent (GD) to exactly determine the loci of the minimal energy gap
    condition.

For more information, visit the SourceForge website at
https://sourceforge.net/projects/matlab.wavepacket.p/

With kind regards from Berlin/Germany
Burkhard Schmidt

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| PD Dr. Burkhard Schmidt    | Email: bur...@fu...   |
| Freie Universitaet Berlin  | Phone: (+49) 30 / 838 - 51 382         |
| Institute of Mathematics   |        (+49) 30 / 838 - 75 415 (secr.) |
| Arnimallee 6, 14195 Berlin | sites.google.com/site/quantclassmoldyn |
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