[Wavepacket-user] WavePacket (C++) version 0.1.4 released

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

Hi,

originally, this release was planned later and with different features.
However, I got sidetracked by a user request, and when porting some
demos from the Matlab version, the result felt crude without additional
support classes.

So, here is a smaller release, version 0.1.4. Major new features:

* support for rotational problems
	- added a grid for a spherical harmonics expansion
	- added rotational kinetic energy operator (L^2)
	- added FBR eigenstates as initial wave function (here:
	  spherical harmonics)
* support for convenient calculation and output of expectation values
	- added an ExpectationValueObserver that calculates the
	  expectation value of a given operator during a propagation
	- added functions to write out a tensor (e.g., expectation
	  values) to an Ascii file
* added two new demos to demonstrate the new features; see
  http://wavepacket.sourceforge.net/cpp-doc/current/demo_expectationvals.xhtml
* a few minor tweaks and fixes


Note that there are some compatibility issues, mainly because I renamed
a few classes for consistency. See the NEWS file for the detailed
listing.


Ulf