[Wavepacket-user] Version 7.0.0 of WavePacket (Matlab/Octave) released (01-Jun-2022)

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

Dear friends of the Matlab version of WavePacket,

this is to announce the release of version 7 (Git hash value 9acbbb88... 
<https://sourceforge.net/p/wavepacket/matlab/git/ci/9acbbb8834286b471484c7760dadd4c0198d5315/>) 
of WavePacket which is the first version also running reasonably under 
Octave, although a bit slower than in Matlab. For a detailed list of 
remaining problems and restrictions,  see our blog post of May 17 
<https://sourceforge.net/p/wavepacket/matlab/blog/2022/05/first-octave-version-ready-for-release/>. 
To circumvent the minor incompatibilities of Matlab and Octave, we had 
to implement a substantial number of code changes, mainly in the 
graphics section, all of them being of minor character.
Even though most of these modifications in Version 7.0 are under the 
hood, a few of them will also be visible externally, leading to minor 
issues with *backward incompatibility *of the initialization (normally 
provided through self-written Matlab function /qm_init.m/ 
<https://sourceforge.net/p/wavepacket/matlab/wiki/Reference.Programs.qm_init/>. 
Those changes were unavoidable because a few name clashes occurred, i.e. 
namespaces (Matlab source folders whose names begin with +) cause 
problems because they are interpreted by Octave as function names.

  * +grid  --> +dof   (grid parameters for each degree of freedom)
  * +log  --> +prt    (print output, to console and log file in parallel)
  * +exp  --> +obs    (expectation values and uncertainties of observables)

Best regards from Berlin/Germany
Burkhard

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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.) |
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