From 2a9f0f83ad4db106e01d8a382c8fb0bb4bf7e812 Mon Sep 17 00:00:00 2001 From: vaitkus Date: Wed, 7 Feb 2024 17:12:32 +0200 Subject: [PATCH] Add evaluation method for _atom_site_Fourier_wave_vector.q3_coeff. --- cif_mag.dic | 14 +++++++++++--- 1 file changed, 11 insertions(+), 3 deletions(-) diff --git a/cif_mag.dic b/cif_mag.dic index 06e0ffe..04fe4c6 100644 --- a/cif_mag.dic +++ b/cif_mag.dic @@ -10,7 +10,7 @@ data_MAGNETIC_CIF _dictionary.title MAGNETIC_CIF _dictionary.class Instance _dictionary.version 0.9.9 - _dictionary.date 2024-01-19 + _dictionary.date 2024-02-07 _dictionary.uri https://raw.githubusercontent.com/COMCIFS/magnetic_dic/main/cif_mag.dic _dictionary.ddl_conformance 3.11.09 @@ -182,7 +182,7 @@ save_atom_site_fourier_wave_vector.q3_coeff _definition.id '_atom_site_Fourier_wave_vector.q3_coeff' _alias.definition_id '_atom_site_Fourier_wave_vector_q3_coeff' - _definition.update 2016-06-21 + _definition.update 2024-02-07 _description.text ; For a given incommensurate modulation that contributes to the @@ -204,6 +204,12 @@ save_atom_site_fourier_wave_vector.q3_coeff _type.container Single _type.contents Integer _units.code none + _method.purpose Evaluation + _method.expression +; + with a as atom_site_Fourier_wave_vector + a.q3_coeff = a.q_coeff[2] +; save_ @@ -4383,7 +4389,7 @@ save_ _atom_site_moment .cartesion* items, corrected and improved *_symmform descriptions. Created the atom_site_rotation category. (B Campbell) ; - 0.9.9 2024-01-19 + 0.9.9 2024-02-07 ; Changed several instances of "Jones-Faithful notation" to "Jones faithful notation". @@ -4398,4 +4404,6 @@ save_ _space_group_magn.point_group_number in favour of the newly added _space_group_magn.point_group_name_H-M and _space_group_magn.point_group_number_Litvin. + + Added evaluation method for _atom_site_Fourier_wave_vector.q3_coeff. ;