Koen Reijnders wrote:
By the way, just for curiosity, it is easy to say what the current efficiency of syst.graph.out_neighbors is? Or is it more or less instantaneous?
Currently it’s very fast, just a few lookups in integer tables that are done in Cython. The time it takes does not depend on the size of the graph.
For this output step it is rather essential that the element i of the output of kwant.wave_function has a position that corresponds to syst.pos(i), or that there is some other easy way of determining the position of the site corresponding to the i-th element in the output of kwant.wave_function.
I guess that this will more or less stay the same, or do you also plan to change a couple of things there?
Of course It will remain possible to map the wave function to spatial positions. We actually plan to improve the support for working with results (e.g. wave function) that are functions of space. Right now this is not one of the strongest parts of Kwant. Koen, thanks for your feedback. Christoph