projdb cleaning.

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mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

projdb cleaning.

Post by mverstra » Thu Apr 28, 2011 4:20 pm

@marc and @xavier and anyone else courageous...

projdb is a horrible routine. I hope it is optimized and well benchmarked, in which case we can leave its internals as is, but we should:

1) break it into 2 routines, to calculated scprod and apply the orthogonalization, respectively, avoiding having intent(inout) variables and huge useless if() statements

2) reuse a _lot_ of code - this is absurd

3) document what the ortalg flag does.

cheers!

Matthieu
Matthieu Verstraete
University of Liege, Belgium

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