[Wavepacket-user] Version 5.3.0 of WavePacket (Matlab version) released

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

Dear WavePacket users,

this is to inform you that version 5.3.0 has been released today (May 
30, 2017). This version (SVN revision 2228 
<http://sourceforge.net/p/wavepacket/matlab/svn/2228>) contains a few 
extensions and revisions, mainly in the setup (qm_matrix.m and 
qm_abncd.m) of TDSE/LvNE simulations as well as in the (optimal) control 
functions (qm_control.m and qm_optimal.m) of the WavePacket program 
package. Among others there are the following changes

  * Allowing for more than one additional multiplicative operator (AMO);
    optionally label them, with the labels appearing in figure legend
  * More flexible choice of control targets: AMOs or populations; the
    latter ones to be calculated from projectors or overlaps
  * Several new demo examples, with emphasis on optimal control
  * In the few places where WavePacket already uses classes and objects:
    Switched to Matlab's "new" syntax introduced with version R2008a
  * Masses of most important isotopes of important atom types available
    in structure 'atomic'

For a more detailed description of the changes, see also the Ticket tool 
<https://sourceforge.net/p/wavepacket/matlab/tickets/milestone/Version%205.3.0>.

*Warning*: For the first time after several years, there are minor 
issues with *backward incompatibility*: For more information, see the 
News section 
<https://sourceforge.net/p/wavepacket/matlab/wiki/About.News.Main/> of 
our WavePacket (Matlab) wiki.

This version runs flawlessly for all of our demo examples 
<https://sourceforge.net/p/wavepacket/wiki/Demos.Main/> with Matlab 
R2016b under Windows 7. Should you encounter problems with other Matlab 
versions and/or other operating systems, please don't hesitate to 
contact us.

With kind regards from Berlin/Germany

Burkhard Schmidt

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| PD Dr. Burkhard Schmidt   | Mailto:bur...@fu...   |
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