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Restrict the values of _atom_site_moment_Fourier.wave_vector_seq_id (#69
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* Restrict the values of _atom_site_moment_Fourier.wave_vector_seq_id.

The values were restricted to positive integers since a numeric identifier
values is used when constructing various symmform data item values
(see `_atom_site_moment_Fourier_param.cos_symmform`, 4th component).
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vaitkus authored Feb 15, 2024
1 parent 00ab9cd commit bd9ebdc
Showing 1 changed file with 9 additions and 5 deletions.
14 changes: 9 additions & 5 deletions cif_mag.dic
Original file line number Diff line number Diff line change
Expand Up @@ -1143,12 +1143,12 @@ save_
save_atom_site_moment_fourier.wave_vector_seq_id

_definition.id '_atom_site_moment_Fourier.wave_vector_seq_id'
_definition.update 2016-05-24
_definition.update 2024-02-07
_description.text
;
An arbitrary code that uniquely identifies the wave vector for
which magnetic Fourier modulation components are to be described
within the ATOM_SITE_MOMENT_FOURIER loop. It must match one of
An arbitrary positive integer code that uniquely identifies the wave vector
for which magnetic Fourier modulation components are to be described within
the ATOM_SITE_MOMENT_FOURIER loop. It must match one of
the _atom_site_Fourier_wave_vector.seq_id values in the
ATOM_SITE_FOURIER_WAVE_VECTOR loop.

Expand All @@ -1164,7 +1164,8 @@ save_atom_site_moment_fourier.wave_vector_seq_id
_type.purpose Link
_type.source Assigned
_type.container Single
_type.contents Text
_type.contents Integer
_enumeration.range 1:

save_

Expand Down Expand Up @@ -4409,4 +4410,7 @@ save_
version 4.1.0.

Added evaluation method for _atom_site_Fourier_wave_vector.q3_coeff.

Restricted the values of _atom_site_moment_Fourier.wave_vector_seq_id
to positive integers.
;

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