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Map final orientations of the point groups to fundamental zone#110

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DomFijan wants to merge 4 commits intomainfrom
feat/map_orientations_fz
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Map final orientations of the point groups to fundamental zone#110
DomFijan wants to merge 4 commits intomainfrom
feat/map_orientations_fz

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@DomFijan DomFijan commented Mar 10, 2026

Description

I propose to map all the optima orientations computed to the fundamental domain. This can be used for further insights and analysis of point group order parameter evolution.

Motivation and Context

Comparison of orientations of principal symmetry of axis computed by PGOP/BOOSOP optimization can not be compared reliably currently. This is because the optimization is done over the whole SO3 instead on the fundamental domain of the point group. I have tested restricting the optimization procedure to fundamental domain, but this proved to be a regression. Instead to make the final orientations comparable between particles we can map the final optimal point group principal axis of symmetry to fundamental domain.

How Has This Been Tested?

Tests were made and pass.

Checklist:

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