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Order of symmetry operations in calculation of misorientation angle #19

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lekah opened this issue Aug 25, 2023 · 0 comments
Open

Order of symmetry operations in calculation of misorientation angle #19

lekah opened this issue Aug 25, 2023 · 0 comments

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@lekah
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lekah commented Aug 25, 2023

We noticed some discrepancies in the calculation of misorientation angles (happy to provide more information).
In a given example for cubic symmetry, two grains with Euler angles:

  • 5.8827929, 1.0387267, 0.87234616
  • 5.6574483, 0.1877138, 4.6545763

are given with a misorientation angle of 0.06 degrees (instead of 54.76 degrees which is what we calculated by applying the cubic symops).
We noticed in the sourcecode that the order of quaternion multiplication seems to be wrong in

QuatD qr = q1 * (q2.conjugate());

the order of multiplication is O * q1 * q2.T instead of q1 * O * q2.T which is not the same as the rotations don't commute if I understood well.
If this part of the code is used to calculate misorientation angles this might explain the discrepancy.

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