[Wavepacket-user] C++ Version 0.0.3 released

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

Hello everyone,

I herbey present the next alpha version of the C++ rewrite of
Wavepacket.

One of the features that we always wanted for the mythical WavePacket 5
was transparent handling of density operators. This was difficult with
the current Matlab's code structures, and is now fully supported by the
C++ port.

There are still many rough edges, starting with the installation, going
over the setup of the initial wave packet to the inefficient operator
arithmetic, but by changing a few lines of code (~3), you can now
convert every wave function propagation into an equivalent density
operator propagation, and this feature is meant to stay.


For completeness, the changelog:

- new working acceptance tests:
    - Harmonic oscillator with Lindblad dissipation
    - Density propagation and Wavefunction propagation give same result
- added a builder to set up density operators as direct product states
- completely reworked how operators work; there is now a primitive that
  knows what to do with various objects and a high-level operator that
  determines the actual action (commute with a density operator or
  apply to a wavefunction)
- added a bunch of new operators:
    - CommutatorOperator, LindbladLiouvillian as high-level operators
    - ConstantOperator, TensorOperator as primitives
- added class to simplify transformation of wavefunctions/density
  operators between the various representation (DVR, FBR, DVR with
  weights)
- added Makefile target and structure for doxygen documentation
- slightly simplified the Makefile configuration; fixed a few linker
  issues
- shifted a few files, beautification and simplification of the
  code/tests etc.


Ulf