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Reorder categories in accordance to the style guide.
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vaitkus committed Jan 19, 2024
1 parent 57eeb1c commit f16adeb
Showing 1 changed file with 192 additions and 192 deletions.
384 changes: 192 additions & 192 deletions cif_mag.dic
Original file line number Diff line number Diff line change
Expand Up @@ -39,6 +39,198 @@ save_MAGNETIC

save_

save_ATOM_SITE_FOURIER_WAVE_VECTOR

_definition.id ATOM_SITE_FOURIER_WAVE_VECTOR
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_description.text
;
Data items in the ATOM_SITE_FOURIER_WAVE_VECTOR category record
details about the wave vectors of the Fourier terms used in the
structural model. This category is fully defined in the modulated
structures dictionary.
;
_name.category_id MAGNETIC
_name.object_id ATOM_SITE_FOURIER_WAVE_VECTOR
_category_key.name '_atom_site_Fourier_wave_vector.seq_id'

loop_
_description_example.case
_description_example.detail
;
loop_
_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
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.
;
;
loop_
_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
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 - As example 1, but using separate data items for each
individual component of the modulation wave vector.
;

save_

save_atom_site_fourier_wave_vector.q1_coeff

_definition.id '_atom_site_Fourier_wave_vector.q1_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q1_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q1_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer
_method.purpose Evaluation
_method.expression
;
with a as atom_site_Fourier_wave_vector
a.q1_coeff = a.q_coeff[0]
;

save_

save_atom_site_fourier_wave_vector.q2_coeff

_definition.id '_atom_site_Fourier_wave_vector.q2_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q2_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q2_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer
_method.purpose Evaluation
_method.expression
;
with a as atom_site_Fourier_wave_vector
a.q2_coeff = a.q_coeff[1]
;

save_

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
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q3_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer

save_

save_atom_site_fourier_wave_vector.q_coeff

_definition.id '_atom_site_Fourier_wave_vector.q_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. This tag holds each of
the integer coefficients as an array. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q_coeff
_type.purpose Describe
_type.source Assigned
_type.container Array
_type.dimension '[]'
_type.contents Integer

save_

save_ATOM_SITE_MOMENT

_definition.id ATOM_SITE_MOMENT
Expand Down Expand Up @@ -2214,198 +2406,6 @@ save_atom_type_scat.neutron_magnetic_source

save_

save_ATOM_SITE_FOURIER_WAVE_VECTOR

_definition.id ATOM_SITE_FOURIER_WAVE_VECTOR
_definition.scope Category
_definition.class Loop
_definition.update 2016-05-24
_description.text
;
Data items in the ATOM_SITE_FOURIER_WAVE_VECTOR category record
details about the wave vectors of the Fourier terms used in the
structural model. This category is fully defined in the modulated
structures dictionary.
;
_name.category_id MAGNETIC
_name.object_id ATOM_SITE_FOURIER_WAVE_VECTOR
_category_key.name '_atom_site_Fourier_wave_vector.seq_id'

loop_
_description_example.case
_description_example.detail
;
loop_
_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
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.
;
;
loop_
_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
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 - As example 1, but using separate data items for each
individual component of the modulation wave vector.
;

save_

save_atom_site_fourier_wave_vector.q1_coeff

_definition.id '_atom_site_Fourier_wave_vector.q1_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q1_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q1_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer
_method.purpose Evaluation
_method.expression
;
with a as atom_site_Fourier_wave_vector
a.q1_coeff = a.q_coeff[0]
;

save_

save_atom_site_fourier_wave_vector.q2_coeff

_definition.id '_atom_site_Fourier_wave_vector.q2_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q2_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q2_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer
_method.purpose Evaluation
_method.expression
;
with a as atom_site_Fourier_wave_vector
a.q2_coeff = a.q_coeff[1]
;

save_

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
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. The q1_coeff tag holds the
integer coefficient of the contribution of the first independent wave
vector, the q2_coeff tag holds the integer coefficient of the
contribution of the second independent wave vector, and so on. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q3_coeff
_type.purpose Describe
_type.source Assigned
_type.container Single
_type.contents Integer

save_

save_atom_site_fourier_wave_vector.q_coeff

_definition.id '_atom_site_Fourier_wave_vector.q_coeff'
_alias.definition_id '_atom_site_Fourier_wave_vector_q_coeff'
_definition.update 2016-06-21
_description.text
;
For a given incommensurate modulation that contributes to the
structure, the wave vector of the modulation can be expressed as an
integer linear combination of the d independent wave vectors that
define the (3+d)-dimensional superspace. This tag holds each of
the integer coefficients as an array. At the
time of this writing, no examples with more than three independent
wave vectors are known, though there is no theoretical limit to the
number that could occur. These tags are not explicitly magnetic; they
are equally applicable to any incommensurate modulation.
;
_name.category_id atom_site_Fourier_wave_vector
_name.object_id q_coeff
_type.purpose Describe
_type.source Assigned
_type.container Array
_type.dimension '[]'
_type.contents Integer

save_

save_PARENT_PROPAGATION_VECTOR

_definition.id PARENT_PROPAGATION_VECTOR
Expand Down

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