Changes between Initial Version and Version 1 of Ticket #805, comment 2


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Timestamp:
Apr 17, 2017 12:55:21 PM (7 years ago)
Author:
pkienzle
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  • Ticket #805, comment 2

    initial v1  
    77Experimenting with different integration routines, scipy.dblquad can get an accurate value of this integral using 1M evals.  simpsons/trapezoid/romberg on a uniform grid require 16M. Adaptive romberg didn't complete in the time that I gave it.  The 150x150 gaussian quadrature we are currently using is not adequate.  We may need a specialized integrator for low q which can identify and integrate the ridges properly. 
    88 
    9 Use sasmodels/explore/bccpy.py to explore integration options and plot the image. 
     9Use sasmodels/explore/bccpy.py in the ticket-776-orientation branch to explore integration options and plot the image. 
    1010 
    1111Given the 8-fold symmetry of the cubic system I was expecting to see eight-fold symmetry in the phi-theta map.  Any idea why this would not be the case for fcc/bcc?  Are we sure the calculation of S(q) is correct for fcc/bcc?