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Fix reciprocal axis terminology#592

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jamesrhester merged 3 commits into
COMCIFS:masterfrom
jamesrhester:new_reciprocal_axis_fix
May 5, 2026
Merged

Fix reciprocal axis terminology#592
jamesrhester merged 3 commits into
COMCIFS:masterfrom
jamesrhester:new_reciprocal_axis_fix

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@jamesrhester

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This is simply that content of #557 relating to cif_core.dic. A separate PR in the other repository will cover changes to templ_attr.cif. Once I've prepared that I will close #557.

@vaitkus

vaitkus commented May 4, 2026

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@jamesrhester Maybe this and the corresponding PR in the template dictionary should also be merged before the next release of coreCIF given that they are already prepared?

I will approve the PR, but it would be good if someone more experienced could confirm that the change is scientifically sound.

@jamesrhester

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I have reviewed Nespolo, J. Appl. Cryst. (2024) p 1733. The change in terminology is to reflect the fact that the unit cell of the reciprocal lattice will not be described by the reciprocals of the direct space unit cell if the direct space unit cell is non-primitive.

@jamesrhester jamesrhester merged commit 3efdc19 into COMCIFS:master May 5, 2026
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3 participants