mail[task #7807] Speed-up of dispersion models for Clustered analysis


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Posted by Troels E. Linnet on June 08, 2014 - 20:26:
Follow-up Comment #23, task #7807 (project relax):

The time spent in cr72.py goes from:

38.743    0.000   43.050    0.000 cr72.py:100(r2eff_CR72)
to
1.403    0.001    2.184    0.002 cr72.py:101(r2eff_CR72).
This is awesome!

The time in:
5.241    0.005   54.380    0.054 relax_disp.py:456(calc_CR72_chi2)
15.091    0.015   44.520    0.045 relax_disp.py:496(calc_CR72_chi2)

This is triple time as much, which is probably related to the increased
looping, to get the disp point structures back.

The NEW time consumer is:
  1510108   20.473    0.000   20.473    0.000 {numpy.core.multiarray.array}.





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