[Wavepacket-user] Version 5 Techdemo 2 released (unstable)

[Ulf L. <ulf...@ke...>]

Hello everyone,

I just want to announce some progress with the development version of
WavePacket. It is still unstable, and of little use (only harmonic
oscillators implemented so far), but slowly getting into shape.

If someone wants to try this out to see where we are headed, you can
download it from http://sourceforge.net/projects/wavepacket/files/.

I might add that if someone is eager to contribute, there is a lot of
also relatively easy work to be done when it comes to translating all
the standard potentials etc. from the WavePacket 4 code base.


The more detailed list of changes:

* made code compatible with Matlab Release 2008a (version 7.6)
* added a rudimentary manual (found on the Wiki)
* added collection operators (sums, products), and formal algebra
  (i.e., the line "A+B" creates a sum operator that holds the
  operators A and B)
* collection operators can be left for keeping the structure of an
  operator, or packed to speed up evaluation
* implemented a general grid operator that does what the *.grid_ND
  variables were used for in WavePacket 4
* added collections (sum/product) and formal algebra for initial
  wave functions
* added a "manual" propagation mode, where you supply the wave
  function and step size to an operator, propagate for some steps with
  the ability of modifying the wave function, propagating backwards etc.
  as you go
* added suppressible output to init functions
* optional parameters are parsed using inputParser
* removed global variable "const" and renamed the others
* started implementing standard comment scheme and unit tests
* removed various superfluous arguments to functions, made others mandatory
* added display function to base classes (output when not suppressed with
  semicolon)
* added custom function for zeros, cell, ones
* a lot of cleanup and smaller interface changes



Ulf