[Wavepacket-user] Wavepacket C++ version 0.2.1 released

[Ulf L. <ul...@wa...>]

Hi,

the latest C++-version of WavePacket has just been released.

Main changes for the end user:

* Creating an own program should now be simpler with a helper script
  (see the online-documentation for a tutorial)
* Added a HarmonicOscillatorFactory to simplify the setup of harmonic
  problems; in particular, creating ladder operators should be easier.
* Added the Matlab version's MolVibration/OH/1 demo (laser vibrational
  excitation of a Morse oscillator), this also includes the Mecke
  dipole operator
* The RedfieldFactory has been cleaned up; this is not as useful as it
  could be because it still needs bath correlation functions, which
  seem rather sparsely used.


There was also some internal work not directly useful for the end user:

- demos are used as regression tests
- removed some dependencies on boost by encapsulating pi
- tried out source code checkers and fixed minor issues uncovered by
  them


I would again remind everyone that any feedback is appreciated, and
every feature request treated with priority.


Ulf