Hi,
it took a bit longer than expected to get the next version ready, but
we finally put it together. I would not repeat the full changelog, but
only the brief highlights. For an exhaustive list of all changes, see
http://sourceforge.net/apps/mediawiki/wavepacket/index.php?title=WavePacket4.ChangeLog
Changes:
* modified the code flow; instead of calling qm_propa, you now call the
sequence qm_setup(); initialize(); qm_propa(); qm_cleanup(). This
should hugely simplify scripting in some cases.
* modified psi_load() to allow caching when loading wave functions
from multiple calculations simultaneously
* started work on Optimal Control Theory (RWA, propagation backwards in
time)
* implemented propagation in an abstract ket basis and of density
operators [experimental]
* updated documentation (now on the wiki)
* a number of bugfixes
Compatibility issues:
* when starting a calculation, you now have to call a few more functions
* psi_load() has a slightly different syntax for retrieving the wave
function.
Ulf
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