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Add kabsch rmsd and dependancy. #180

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merged 1 commit into from
Jul 30, 2024

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andrewtarzia
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Related Issues: #101
Requested Reviewers: @lukasturcani

Implements a simple interface to default usage of rmsd.kabschrmsd on stk molecules:

https://github.com/charnley/rmsd

This software is faster and provides alignment for free.

I do not plan on adding interface otpions for now, but there are many options to rmsd.

@andrewtarzia andrewtarzia merged commit 96ca837 into JelfsMaterialsGroup:master Jul 30, 2024
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@andrewtarzia andrewtarzia deleted the add_rmsd branch July 30, 2024 10:29
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