[Wavepacket-user] WavePacket 4.7.2 released

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

Hello everyone,

we are pleased to announce the next maintenance release of the stable
WavePacket branch. Changes compared to the last release:


* minor rewrite of how laser pulses are handled;
    - interpolation of electric fields is now more flexible
	- added linear and quadratic chirping

* interpolating the electric field outside the given time range
  now gives zero field

* NaI potential/dipole got a parameter "R_dof" to specify the
  radial degree of freedom

* added demo that demonstrates chirping, and time-dependent
  projection on Morse eigenstates (VibExcite/Chirp)

* bug fixes:
	- fixed an error in the convergence script
	- fixed an incorrect scaling factor when transforming to different
	  grid sizes (FFT grid)
	- wave function was always saved to two different files
	- fixed a bug that prevented loading if the wave function is saved
	  to multiple files
	- fixed bug #2861295 (last expectation value empty) by saving the
	  wave function after everything else
	- fixed bug #2860763 (Chebychev diverges); Chebychev in imaginary
	  time now rejects too large, numerically unstable time steps


If you have ever used the feature of interpolated electric fields, this
is no longer compatible with this version. You no longer interpolate the
whole electric field, but specify the pulse shape to be 'inter'
[-polated]. This is more flexible, but needs some more parameters; see
the reference for the required parameters.

I hope you produce many nice results with this release. If you do, we
would like to remind you that we would be happy to get a notice for
placing it on our homepage. :)


Ulf