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sissaschool / turborvb

Quantum Monte Carlo package, TurboRVB
https://turborvb.sissa.it
GNU General Public License v3.0
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duplicated zsktrs #73

Open kousuke-nakano opened 1 year ago

kousuke-nakano commented 1 year ago

Hi @addman2,

While I was refactoring, I noticed that the exactly same subroutine name "zsktrs" is used in

They both are included in CMakeLists.txt.

Do you think we can remove zsktrs.f90?

addman2 commented 1 year ago

Hi @kousuke-nakano

I know about zsktrs it is double complex skew symmetric solvers. The thing about qp is it has quadripole precision (which cannot be used with nvidia compiler) is used only by invertor zsktri which is then used in upnewwf or scratch det. Well good question is which one of these we would need, personally I would keep both and investigate latter why was quadripole precision needed. Verificarlo no would be very helpfull, unfortunatelly we dont have flang :-(.

Even bigger question is how the heck compilation work with these. There should be an error about double definition of subroutine. This is strange.