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hexrd cli doesn't give same results for single_GE ruby #3

@donald-e-boyce

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@donald-e-boyce

I ran find-orientations and fit-grains on the single GE ruby example problem, and some of the results differed in nontrivial ways.

For scan 0 (there were 6 scans done by the script), the orientations (exp_map) and the centroids (t_vec) were very close, but the completeness of the reference example was 99.6% while the newly computed value was 94.3%. Also, the logarithmic strains in the new results were all above 1e-4 in magnitude, while the reference values were nearly an order of magnitude smaller.

(hexrd-dev) (MacBook-Pro: include) 1394. cat results-deb/grains.out 
# grain ID    completeness  chi^2         exp_map_c[0]             exp_map_c[1]             exp_map_c[2]             t_vec_c[0]               t_vec_c[1]               t_vec_c[2]               inv(V_s)[0,0]            inv(V_s)[1,1]            inv(V_s)[2,2]            inv(V_s)[1,2]*sqrt(2)    inv(V_s)[0,2]*sqrt(2)    inv(V_s)[0,1]*sqrt(2)    ln(V_s)[0,0]             ln(V_s)[1,1]             ln(V_s)[2,2]             ln(V_s)[1,2]             ln(V_s)[0,2]             ln(V_s)[0,1]           
0             0.942797      1.339631e-04  6.6918649107126982e-01   -9.8641582962873697e-01  7.3667831533290939e-01   3.9827841460512801e-03   8.0340971654415788e-05   1.1711638895589634e-03   1.0001806598927279e+00   1.0001748226350993e+00   1.0002199218597727e+00   2.4938617558299570e-06   1.6486719034722785e-05   -1.2477506200928512e-05  -1.8064346885934965e-04  -1.7480731494045294e-04  -2.1989761102601097e-04  -1.7631299850951967e-06  -1.1655544109695089e-05  8.8213716029227738e-06 



(hexrd-dev) (MacBook-Pro: include) 1395. cat ../results/RUBY_SWEEP_0/grains.out 
# grain ID    completeness  chi2          xi[0]                    xi[1]                    xi[2]                    tVec_c[0]                tVec_c[1]                tVec_c[2]                vInv_s[0]                vInv_s[1]                vInv_s[2]                vInv_s[4]*sqrt(2)        vInv_s[5]*sqrt(2)        vInv_s[6]*sqrt(2)        ln(V[0,0])               ln(V[1,1])               ln(V[2,2])               ln(V[1,2])               ln(V[0,2])               ln(V[0,1])             
0             0.996441      6.789419e-05  6.6915764420116963e-01   -9.8645691090758181e-01  7.3671268551912705e-01   7.4356099401517420e-04   -3.2797215724751140e-04  3.0348376087913679e-03   9.9999915956922780e-01   9.9997970456305807e-01   1.0000543901727046e+00   -1.9101227709367569e-05  2.2342264249539348e-05   -3.7211661743067385e-06  8.4055937642900151e-07   2.0295737572567815e-05   -5.4388477619290562e-05  1.3506356617922513e-05   -1.5797925807544246e-05  2.6311829548237176e-06 

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