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Merge pull request #70 from vaitkus/apply-minor-cosmetic-changes
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Apply minor cosmetic changes
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@vaitkus
vaitkus authored Feb 8, 2024
2 parents 9d05150 + 2762451 commit 11bdf26
Showing 1 changed file with 49 additions and 49 deletions.
98 changes: 49 additions & 49 deletions cif_mag.dic
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Original file line number Diff line number Diff line change
Expand Up @@ -61,42 +61,42 @@ save_ATOM_SITE_FOURIER_WAVE_VECTOR
_description_example.detail
;
loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
_cell_wave_vector.seq_id
_cell_wave_vector.x
_cell_wave_vector.y
_cell_wave_vector.z
1 0.30000 0.30000 0.00000
2 -0.60000 0.30000 0.00000
loop_
_atom_site_Fourier_wave_vector_seq_id
_atom_site_Fourier_wave_vector_x
_atom_site_Fourier_wave_vector_y
_atom_site_Fourier_wave_vector_z
_atom_site_Fourier_wave_vector_q_coeff
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.x
_atom_site_Fourier_wave_vector.y
_atom_site_Fourier_wave_vector.z
_atom_site_Fourier_wave_vector.q_coeff
1 -0.30000 0.60000 0.00000 [1 1]
2 -0.60000 0.30000 0.00000 [0 1]
3 -0.30000 -0.30000 0.00000 [-1 0]
;
;
Example 1 - Hypothetical example showing the modulation wave vector
components expressed using the array data item
_atom_site_Fourier_wave_vector_q_coeff.
_atom_site_Fourier_wave_vector.q_coeff.
;
;
loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
_cell_wave_vector.seq_id
_cell_wave_vector.x
_cell_wave_vector.y
_cell_wave_vector.z
1 0.30000 0.30000 0.00000
2 -0.60000 0.30000 0.00000
loop_
_atom_site_Fourier_wave_vector_seq_id
_atom_site_Fourier_wave_vector_x
_atom_site_Fourier_wave_vector_y
_atom_site_Fourier_wave_vector_z
_atom_site_Fourier_wave_vector_q1_coeff
_atom_site_Fourier_wave_vector_q2_coeff
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.x
_atom_site_Fourier_wave_vector.y
_atom_site_Fourier_wave_vector.z
_atom_site_Fourier_wave_vector.q1_coeff
_atom_site_Fourier_wave_vector.q2_coeff
1 -0.30000 0.60000 0.00000 1 1
2 -0.60000 0.30000 0.00000 0 1
3 -0.30000 -0.30000 0.00000 -1 0
Expand Down Expand Up @@ -641,11 +641,11 @@ save_ATOM_SITE_ROTATION
that rigid bodies be explicitly defined. Because magnetic moments
and rotations are both axial rather than polar vectors, their
descriptive requirements are highly analogous, except that static
rotations are insensitive to time-reversal, so that normal (non-
magnetic) symmetry groups are appropriate. This is a child category
rotations are insensitive to time-reversal, so that normal (non-magnetic)
symmetry groups are appropriate. This is a child category
of the ATOM_SITE category, though pivot-site rotations will typically
be listed in a separate loop; the category items mirror those of defined
for the _ATOM_SITE_MOMENT category.
for the ATOM_SITE_MOMENT category.
;
_name.category_id ATOM_SITE
_name.object_id ATOM_SITE_ROTATION
Expand Down Expand Up @@ -1189,19 +1189,19 @@ save_ATOM_SITE_MOMENT_FOURIER_PARAM
_description_example.case
;
loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
_cell_wave_vector.seq_id
_cell_wave_vector.x
_cell_wave_vector.y
_cell_wave_vector.z
1 0.30000 0.30000 0.00000
2 -0.60000 0.30000 0.00000
loop_
_atom_site_Fourier_wave_vector_seq_id
_atom_site_Fourier_wave_vector_x
_atom_site_Fourier_wave_vector_y
_atom_site_Fourier_wave_vector_z
_atom_site_Fourier_wave_vector_q1_coeff
_atom_site_Fourier_wave_vector_q2_coeff
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.x
_atom_site_Fourier_wave_vector.y
_atom_site_Fourier_wave_vector.z
_atom_site_Fourier_wave_vector.q1_coeff
_atom_site_Fourier_wave_vector.q2_coeff
1 -0.30000 0.60000 0.00000 1 1
2 -0.60000 0.30000 0.00000 0 1
3 -0.30000 -0.30000 0.00000 -1 0
Expand Down Expand Up @@ -1295,27 +1295,27 @@ save_atom_site_moment_fourier_param.cos_symmform
_description_example.case
;
loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
_cell_wave_vector.seq_id
_cell_wave_vector.x
_cell_wave_vector.y
_cell_wave_vector.z
1 0.30000 0.30000 0.00000
2 -0.60000 0.30000 0.00000
loop_
_atom_site_Fourier_wave_vector_seq_id
_atom_site_Fourier_wave_vector_x
_atom_site_Fourier_wave_vector_y
_atom_site_Fourier_wave_vector_z
_atom_site_Fourier_wave_vector_q1_coeff
_atom_site_Fourier_wave_vector_q2_coeff
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.x
_atom_site_Fourier_wave_vector.y
_atom_site_Fourier_wave_vector.z
_atom_site_Fourier_wave_vector.q1_coeff
_atom_site_Fourier_wave_vector.q2_coeff
1 -0.30000 0.60000 0.00000 1 1
2 -0.60000 0.30000 0.00000 0 1
3 -0.30000 -0.30000 0.00000 -1 0
loop_
_atom_site_moment_Fourier_id
_atom_site_moment_Fourier_atom_site_label
_atom_site_moment_Fourier_wave_vector_seq_id
_atom_site_moment_Fourier_axis
_atom_site_moment_Fourier.id
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
Expand Down Expand Up @@ -4371,7 +4371,7 @@ save_
;
0.9.6 2016-10-10
;
Moved _space_group.magn_ items to new category _space_group_magn
Moved _space_group.magn_ items to new category SPACE_GROUP_MAGN.
;
0.9.7 2016-12-16
;
Expand All @@ -4380,7 +4380,7 @@ save_
0.9.8 2018-08-24
;
Added _atom_site_moment.magnitude, improved descriptions of
_atom_site_moment .cartesion* items, corrected and improved *_symmform
_atom_site_moment.Cartn* items, corrected and improved *_symmform
descriptions. Created the atom_site_rotation category. (B Campbell)
;
0.9.9 2024-01-19
Expand Down

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