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Fix for histograms for water dipoles - #776

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MandyHoffmann wants to merge 1 commit into
ddmms:mainfrom
MandyHoffmann:histogram_fix
Open

Fix for histograms for water dipoles#776
MandyHoffmann wants to merge 1 commit into
ddmms:mainfrom
MandyHoffmann:histogram_fix

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PR author must check the checkboxes below when creating the PR.

  • I've confirmed the contribution guidelines.
  • I have reviewed and understand all AI-generated code in this PR.
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Summary

Reimplemented the histogram colouring.

Linked issue

#759

Testing

Tested on water slab dipole benchmark with trajectories from mace_mp_0a, orb_v3_consv_omol, and pet_mad

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