Skip to content

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

@donald-e-boyce

Description

@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 

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions