sissaschool / turborvb

Quantum Monte Carlo package, TurboRVB
https://turborvb.sissa.it
GNU General Public License v3.0
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Make 6 branch #23

Open addman2 opened 1 year ago

addman2 commented 1 year ago

Similarly to 0 branch we can have speed up for pseudo case if we make also branch 6 or 12.

This is little bit more technical but for those who don't know, there is a pseudo averaging in turbo in pseudopotential case. Number of points can be arbitrary but normally it is is either 0 (non-pseudo case), 6 (most common) or 12. If these numbers would be known during compile time compiler could do much better vectorization. The fore there is a trick how to automatically do a special branch of the code for these particular numbers.