tfrederiksen / inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
https://tfrederiksen.github.io/inelastica
GNU Lesser General Public License v3.0
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Added tile function to geometry, much faster than 'repeteGeom' #63

Closed jonaslb closed 3 years ago

jonaslb commented 3 years ago

The new function is equivalent, but it runs faster. Runtime is not a huge issue for any of the affected inelastica commands, but as I recall, some 'simple' things were taking a bit too long for comfort (fast enough that one waits for them to complete - slow enough to be annoying) and I realized that this simple optimization would make everything run faster. I guess the difference only shows for larger structures.

tfrederiksen commented 3 years ago

Wonderful, thanks!