[sr #3154] Implementation of Baldwin (2014) B14 model - 2-site exact solution model for all time scales -- May 05, 2014 - 20:24

Follow-up Comment #68, sr #3154 (project relax):

Code optimisation suggestions:

If you are interested, there are a tonne of other code optimisations
which can be performed.  For example k_AB and k_BA are calculated in
lib.dispersion.cr72.  But this can happen at the start of the target
function outside of all the looping.  Other dispersion models do this.
 You can even pre-add them.  The pB parameter as well - these only
need to be calculated once, not multiple times for each spin system,
each experiment type, and each magnetic field strength.  r20_kex can
also be calculated in the calc_CR72_chi2() method as a numpy array,
and then sent in to r2eff_CR72() using the r20_index index.  The speed
up of the cosh+cos vs. sqrt(sqrt()) suggestion of Andy
http://thread.gmane.org/gmane.science.nmr.relax.devel/5410/focus=5448
is rather small compared to these optimisations!

    _______________________________________________________

Reply to this item at:

  <http://gna.org/support/?3154>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/