jfjoch_process: Add orientation-only refinement
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@@ -825,9 +825,9 @@ bool XtalOptimizerRotationOnly(XtalOptimizerData &data,
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ceres::AngleAxisToRotationMatrix(rot_aa, R_raw); // row-major 3x3
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Eigen::Matrix3d R;
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R << R_raw[0], R_raw[1], R_raw[2],
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R_raw[3], R_raw[4], R_raw[5],
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R_raw[6], R_raw[7], R_raw[8];
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R << R_raw[0], R_raw[3], R_raw[6],
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R_raw[1], R_raw[4], R_raw[7],
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R_raw[2], R_raw[5], R_raw[8];
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const Eigen::Vector3d A(a0.x, a0.y, a0.z);
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const Eigen::Vector3d B(b0.x, b0.y, b0.z);
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