[Wavepacket-ng-devel] Summary chat

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

Hi,

just had a chat with Andreas. Basically, the topic was that the
Chebychev propagator works, but poorly (slowly) so, and needs widespread
adaption of other interfaces to be integrated properly.

* discussed how Chebychev-Propagator can automatically try to get the
  spectrum of the operator
	- somewhat tricky and cumbersome, put off for now
	- check if Chebychev fails or works poorly with complex spectra
	  (=> Ulf)
* move OperatorMatrix to operator; seems better integrated there
* Chebychev should check /fail for time-dependent operators
	- LinearOperators need function isTimeDependent()
* Chebychev requires fixed time steps for optimal performance
	- augment Propagator interface by functions setTimestep() and
	  propagateStep(int n_0, int n_1)
	- propagate changes, update Chebychev heavily


Ulf