[Wavepacket-user] [Wavepacket-devel] Release 4.6.0

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

Hello everyone,

the next release 4.6.0 of WavePacket is out. The changes:

* added solution of multiple coupled TISE's

* added new potentials and dipoles
    - H2O dipole and potentials
	- C9A effective 1D potentials

* added new demos
	- selective bond breakage of HOD (tests interpolation of electric
	  fields)
	- spectrum of C9A molecule with "dark" state (tests coupled TISE's)

* fixed several bugs
	- fixed crash when not supplying optional psi.init.coeffs
	- fixed crash when using an interpolated electric field
	- fixed crash when setting psi.eigen.start to something ~=3D 0
	- fixed crash when using wav_load
	- fixed crash when using psi_load due to obsolete code
	- fixed incorrect evaluation of Fourier Grid Hamiltonian method
	  (should only affect small grids noticeably)



Ulf