Hi, I have applied the '0001-Changed-reference-to-Tollinger-et-al.-instead-of-Tol.patch' patch. But the '0002-Optimized-the-target-function-for-model-TSMFK.patch' one is not the best solution. You have shifted the calculation from lib.dispersion.tsmfk01 module into the func_TSMFK01() target function. But the target function is called many, many times during optimisation. Therefore the calculation needs to be in the __init__() method, as that is only called once per optimisation. This information never changes, so having it calculated only once when the target function class is initialised will result in a huge computational saving. Just a hint, have a look at the lines after the comment "# Some other data structures for the numerical solutions." ;)
Regards, Edward P. S. The float64() conversion you have performed is also not necessary as the cpmg_frqs data structure passed into the target function class is already a numpy float64 array - just see the Dispersion.__init__() docstring. Avoiding that conversion also saves time. On 9 September 2013 22:07, Troels E. Linnet <[email protected]> wrote: > Follow-up Comment #67, sr #3071 (project relax): > > Updates for the precious patches. > > (file #18948, file #18949) > _______________________________________________________ > > Additional Item Attachment: > > File name: 0001-Changed-reference-to-Tollinger-et-al.-instead-of-Tol.patch > Size:5 KB > File name: 0002-Optimized-the-target-function-for-model-TSMFK.patch Size:4 KB > > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/support/?3071> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
