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COMCIFS / magnetic_dic

Development of the magnetic CIF dictionary
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Add list-valued variants of the symmform data names #73

Open vaitkus opened 6 months ago

vaitkus commented 6 months ago

This issue is related to issue https://github.com/COMCIFS/cif_core/issues/484 from the CIF_CORE dictionary.

The symmform data items have an internal data structure that might be better represent in a CIF2 list form than a concatenated string, e.g. data item _atom_site_moment.symmform string value "mx,-mx,0" could instead be expressed as a list of three elements:

[ mx  -mx  0 ]
brantonc commented 5 months ago

I don’t know a lot about CIF2 and so don’t have a strong opinion on this issue.

From: Antanas Vaitkus @.> Sent: Friday, February 23, 2024 7:00 AM To: COMCIFS/magnetic_dic @.> Cc: Subscribed @.***> Subject: [COMCIFS/magnetic_dic] Add list-valued variants of the symmform data names (Issue #73)

This issue is related to issue COMCIFS/cif_core#484https://github.com/COMCIFS/cif_core/issues/484 from the CIF_CORE dictionary.

The symmform data items have an internal data structure that might be better represent in a CIF2 list form than a concatenated string, e.g. data item _atom_site_moment.symmform string value "mx,-mx,0" could instead be expressed as a list of three elements:

[ mx -mx 0 ]

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