mat3ra-esse 2025.6.14.post0__py3-none-any.whl → 2025.6.30.post0__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Potentially problematic release.
This version of mat3ra-esse might be problematic. Click here for more details.
- {mat3ra_esse-2025.6.14.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/METADATA +1 -1
- {mat3ra_esse-2025.6.14.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/RECORD +5 -118
- mat3ra/esse/models/coordinates_shape_enum.py +0 -15
- mat3ra/esse/models/core/abstract/2d_data.py +0 -17
- mat3ra/esse/models/core/abstract/2d_plot.py +0 -34
- mat3ra/esse/models/core/abstract/3d_grid.py +0 -14
- mat3ra/esse/models/core/abstract/3d_tensor.py +0 -19
- mat3ra/esse/models/core/abstract/3d_vector_basis.py +0 -15
- mat3ra/esse/models/core/abstract/_3d_tensor.py +0 -19
- mat3ra/esse/models/core/abstract/_3d_vector_basis.py +0 -15
- mat3ra/esse/models/core/abstract/point.py +0 -13
- mat3ra/esse/models/core/abstract/vector.py +0 -13
- mat3ra/esse/models/core/primitive/1d_data_series.py +0 -13
- mat3ra/esse/models/core/primitive/3d_lattice.py +0 -34
- mat3ra/esse/models/core/primitive/_3d_lattice.py +0 -34
- mat3ra/esse/models/core/reusable/accuracy_level.py +0 -27
- mat3ra/esse/models/core/reusable/atomic_strings.py +0 -24
- mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py +0 -26
- mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py +0 -24
- mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py +0 -24
- mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py +0 -27
- mat3ra/esse/models/core/reusable/energy_accuracy_levels/__init__.py +0 -3
- mat3ra/esse/models/core/reusable/energy_accuracy_levels.py +0 -31
- mat3ra/esse/models/enums/__init__.py +0 -3
- mat3ra/esse/models/enums/chemical_elements.py +0 -13
- mat3ra/esse/models/material/builders/base/__init__.py +0 -3
- mat3ra/esse/models/material/builders/base/selector_parameters.py +0 -16
- mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/__init__.py +0 -3
- mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/builder_parameters.py +0 -28
- mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py +0 -151
- mat3ra/esse/models/material/reusable/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/coordinate_conditions/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/coordinate_conditions/base.py +0 -21
- mat3ra/esse/models/material/reusable/coordinate_conditions/box.py +0 -24
- mat3ra/esse/models/material/reusable/coordinate_conditions/cylinder.py +0 -26
- mat3ra/esse/models/material/reusable/coordinate_conditions/plane.py +0 -24
- mat3ra/esse/models/material/reusable/coordinate_conditions/sphere.py +0 -24
- mat3ra/esse/models/material/reusable/coordinate_conditions/triangular_prism.py +0 -27
- mat3ra/esse/models/material/reusable/repetitions.py +0 -25
- mat3ra/esse/models/material/reusable/slab/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/slab/enums/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/slab/enums/exposed_face.py +0 -13
- mat3ra/esse/models/material/reusable/slab/enums.py +0 -13
- mat3ra/esse/models/material/reusable/slab/miller_indices.py +0 -16
- mat3ra/esse/models/material/reusable/slab/number_of_layers.py +0 -16
- mat3ra/esse/models/material/reusable/slab/slab_configuration_with_termination.py +0 -589
- mat3ra/esse/models/material/reusable/slab/slab_with_termination.py +0 -593
- mat3ra/esse/models/material/reusable/slab/termination.py +0 -144
- mat3ra/esse/models/material/reusable/slab/two_slabs_stack.py +0 -618
- mat3ra/esse/models/material/reusable/slab/vacuum.py +0 -16
- mat3ra/esse/models/material/reusable/slab_configuration_with_termination.py +0 -712
- mat3ra/esse/models/material/reusable/stack/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/stack/slab_configuration_with_termination.py +0 -593
- mat3ra/esse/models/material/reusable/stack/slab_in_stack.py +0 -720
- mat3ra/esse/models/material/reusable/stack/stack_of_slabs.py +0 -737
- mat3ra/esse/models/material/reusable/stack/stack_of_two_slabs.py +0 -737
- mat3ra/esse/models/material/reusable/supercell/__init__.py +0 -3
- mat3ra/esse/models/material/reusable/supercell/supercell_matrix_2d.py +0 -25
- mat3ra/esse/models/material/reusable/supercell/supercell_matrix_3d.py +0 -27
- mat3ra/esse/models/material/reusable/supercell_matrix_2d.py +0 -25
- mat3ra/esse/models/material/reusable/supercell_matrix_3d.py +0 -27
- mat3ra/esse/models/materials_category/defects/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/adatom/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/adatom/configuration.py +0 -672
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/layered/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/layered/configuration.py +0 -549
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/point/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/point/configuration.py +0 -550
- mat3ra/esse/models/materials_category/defects/configuration.py +0 -545
- mat3ra/esse/models/materials_category/defects/enums/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/enums/point_defect_type.py +0 -13
- mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/configuration.py +0 -563
- mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.py +0 -1200
- mat3ra/esse/models/materials_category/defects/two_dimensional/island/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/two_dimensional/island/condition_json.py +0 -28
- mat3ra/esse/models/materials_category/defects/two_dimensional/island/configuration.py +0 -564
- mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/configuration.py +0 -1538
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/configuration.py +0 -672
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/configuration.py +0 -672
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/configuration.py +0 -672
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/__init__.py +0 -3
- mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/configuration.py +0 -672
- mat3ra/esse/models/materials_category/multi_material/interfaces/__init__.py +0 -3
- mat3ra/esse/models/materials_category/multi_material/interfaces/configuration.py +0 -737
- mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/__init__.py +0 -3
- mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py +0 -567
- mat3ra/esse/models/methods_directory/physical/psp/file/__init__.py +0 -129
- mat3ra/esse/models/methods_directory/physical/psp/file_data_item/__init__.py +0 -111
- mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py +0 -74
- mat3ra/esse/models/property/base/__init__.py +0 -200
- mat3ra/esse/models/property/meta/__init__.py +0 -200
- mat3ra/esse/models/property/raw/__init__.py +0 -200
- mat3ra/esse/models/property/source/__init__.py +0 -150
- mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/__init__.py +0 -3
- mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/atoms.py +0 -41
- mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/db_entry.py +0 -55
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py +0 -3
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py +0 -3
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py +0 -51
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py +0 -34
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py +0 -111
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py +0 -36
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py +0 -169
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py +0 -139
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py +0 -194
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py +0 -422
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py +0 -73
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py +0 -841
- mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py +0 -1990
- {mat3ra_esse-2025.6.14.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.6.14.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/licenses/LICENSE.md +0 -0
- {mat3ra_esse-2025.6.14.post0.dist-info → mat3ra_esse-2025.6.30.post0.dist-info}/top_level.txt +0 -0
|
@@ -6,7 +6,6 @@ mat3ra/esse/data/examples.py,sha256=0mxPYRoZ-5_JANeC77Xg67OON8sHTnPi-I0WRS4YA7s,
|
|
|
6
6
|
mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
|
|
7
7
|
mat3ra/esse/data/schemas.py,sha256=bVaJZmsSiPCKL6PGVGJZhBQH6WpcKmEvK430k13r-8w,1925090
|
|
8
8
|
mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
9
|
-
mat3ra/esse/models/coordinates_shape_enum.py,sha256=YePazJ_MnDUPF9IwnaiQza0w0DLPm_WpGImQK3TuKGo,319
|
|
10
9
|
mat3ra/esse/models/element.py,sha256=n_06XRiBOS9Tq_z08YGu5_nZDuqLnkxsfAe9mqYON2s,2944
|
|
11
10
|
mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
|
|
12
11
|
mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -28,29 +27,17 @@ mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/system.py,sha256=k1G
|
|
|
28
27
|
mat3ra/esse/models/apse/materials/builders/slab/pymatgen/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
29
28
|
mat3ra/esse/models/apse/materials/builders/slab/pymatgen/parameters.py,sha256=P-6jXpG84bAsOMnr0EBSV-20MHpGViZOjcKSJqLVqxc,785
|
|
30
29
|
mat3ra/esse/models/core/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
31
|
-
mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
|
|
32
|
-
mat3ra/esse/models/core/abstract/2d_plot.py,sha256=q2qJuDQ10UtiJvZcGzWWv9T9qHJ8HwP-kING3w6cUWM,812
|
|
33
|
-
mat3ra/esse/models/core/abstract/3d_grid.py,sha256=agAv0nKNco8y2baN02wJBkMib6HkW5dKqPuN7hCFGD4,466
|
|
34
|
-
mat3ra/esse/models/core/abstract/3d_tensor.py,sha256=B-xWWG5PoTfStseeaF27dcFWAcWJH02R9-5h8SgPHyg,564
|
|
35
|
-
mat3ra/esse/models/core/abstract/3d_vector_basis.py,sha256=p7G-Qld7I6iGWdSjo4IgCj3-aq6zBOhOI3WZQOIjQ0g,564
|
|
36
30
|
mat3ra/esse/models/core/abstract/_2d_data.py,sha256=Dgn_D-9Sq-9MDH51csL1-GBFkisSbwDGQlaYscnWHDk,426
|
|
37
31
|
mat3ra/esse/models/core/abstract/_2d_plot.py,sha256=CikwQl8cFdoaJthwdT1kIvUcTnHk9QiOT9YgWo-TU28,812
|
|
38
32
|
mat3ra/esse/models/core/abstract/_3d_grid.py,sha256=qJ6z7YI504zEWp81dOoYdBVBZDPFGuvD8VxfeEOmhgA,466
|
|
39
|
-
mat3ra/esse/models/core/abstract/_3d_tensor.py,sha256=LS2yGo4DWMPp4As2jC3oeVO4RsueFAryaHTTL_lDWuI,563
|
|
40
|
-
mat3ra/esse/models/core/abstract/_3d_vector_basis.py,sha256=ub2Gt2HJEQKIlmRv6XiK0-hQJ0lpo3RtT6yn_1vF1N8,564
|
|
41
33
|
mat3ra/esse/models/core/abstract/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
42
34
|
mat3ra/esse/models/core/abstract/coordinate_2d.py,sha256=VY2G33pQx_QYF-njFFk3Yhg_emT0datwlcqg9KppCYk,349
|
|
43
35
|
mat3ra/esse/models/core/abstract/coordinate_3d.py,sha256=9FF3YH5uQQCKH2ta4hklogqj9Zw8qWK7sR5fJPjABhg,349
|
|
44
36
|
mat3ra/esse/models/core/abstract/kpoint.py,sha256=qs_3FgLXwkaCW3XyCATTcGoeB2DWAQzVMnhPt04Nvhw,404
|
|
45
37
|
mat3ra/esse/models/core/abstract/matrix_3x3.py,sha256=7Ob8lg7Uq33R0dVO7XYgp4AvDyffg8UeeCW8qXzdqOQ,526
|
|
46
|
-
mat3ra/esse/models/core/abstract/point.py,sha256=NNKy1gnTZ8W-7y6-kckKHBHc1gwXvn5g5JSXQJ6yYlM,326
|
|
47
|
-
mat3ra/esse/models/core/abstract/vector.py,sha256=B_jR0gFbWoC5ZUgUfUI8YZpFaqplZ0yj9jGt99yLhJg,338
|
|
48
38
|
mat3ra/esse/models/core/abstract/vector_3d.py,sha256=gty27LKhdm35AR6PjWvO8Ccq5p4eqe25At-h7-OAteI,337
|
|
49
39
|
mat3ra/esse/models/core/abstract/vector_boolean_3d.py,sha256=GbByG75y034HscvSsE9tIo178Mri-ZeNFOMfZbXKjZ0,313
|
|
50
|
-
mat3ra/esse/models/core/primitive/1d_data_series.py,sha256=OvoNT1ByJxgB2bjYXnjLSOKD8Eh8FJXcYr3BrvwqT5A,389
|
|
51
|
-
mat3ra/esse/models/core/primitive/3d_lattice.py,sha256=3X4l2NdAWcFpMXnqS22ORjf_Ww0BmphnB3wOv13S6G8,673
|
|
52
40
|
mat3ra/esse/models/core/primitive/_1d_data_series.py,sha256=axKdgsXgeF95sKcBtWKS5EUJIx82uI6kN0YNMbU_pYY,389
|
|
53
|
-
mat3ra/esse/models/core/primitive/_3d_lattice.py,sha256=B1V-vJnQ0_l4vvijdYBAiAzgxJS2mdLdsAukJibxjxg,673
|
|
54
41
|
mat3ra/esse/models/core/primitive/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
55
42
|
mat3ra/esse/models/core/primitive/array_of_3_booleans.py,sha256=06YLYsvCD7BP5fNee8e07YKrNZVNsfh9RpvBMj-k7-A,379
|
|
56
43
|
mat3ra/esse/models/core/primitive/array_of_3_integers.py,sha256=L8Ufchk1rlzLkuFeFItAZTxr1HjD5cTD0WHVoCGXLoM,377
|
|
@@ -83,13 +70,11 @@ mat3ra/esse/models/core/reference/literature/pages.py,sha256=YiXN93a288PnuJ_Ur8e
|
|
|
83
70
|
mat3ra/esse/models/core/reference/modeling/__init__.py,sha256=cUPRB2IfoHG_oa_TmVrbG2RgkUSJURV84qqZ259CTU0,1169
|
|
84
71
|
mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=TpN1sEwv2h1w4cN7anHLfWQWSK0Zjb1u7_V2-62Yrv4,880
|
|
85
72
|
mat3ra/esse/models/core/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
86
|
-
mat3ra/esse/models/core/reusable/accuracy_level.py,sha256=7p3TQIjCfdbdpmvCbNadyOYbHdWeVqfgHproC39uet0,643
|
|
87
73
|
mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=D-Ax_gaa_HALKc2wMoVbRt2aA7Y_nbdVh_XwZfmyPGM,661
|
|
88
74
|
mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py,sha256=ZruAxrJnI54uFKZNKVAjOpSfhilRgcRC1VbsORgFtRE,1050
|
|
89
75
|
mat3ra/esse/models/core/reusable/atomic_orbital.py,sha256=YtV1ywMQuSeZsFF068PUxFSaa7qt6Y0yrXBrFjEgTpw,597
|
|
90
76
|
mat3ra/esse/models/core/reusable/atomic_scalars.py,sha256=mqHoU1M4JPAFbJzEisr9hTso1i2EtGyzXdY1Zjp7xDo,649
|
|
91
77
|
mat3ra/esse/models/core/reusable/atomic_string.py,sha256=HGERo3jqAURe_kWKQS4_fk8FqqEDXWAWMfKid_k_tK0,323
|
|
92
|
-
mat3ra/esse/models/core/reusable/atomic_strings.py,sha256=wvZwjAKPTfhD1RZk59G6t1-yQZZNpoKWxVca63QAeFo,631
|
|
93
78
|
mat3ra/esse/models/core/reusable/atomic_vector.py,sha256=_XJEynxYb3CobXK3FX7tacIYBbVM2wdD6PsMPcBhd9M,430
|
|
94
79
|
mat3ra/esse/models/core/reusable/atomic_vectors.py,sha256=AbeH2EwEG07Pzah_ZTdo9k0HPtZW9wfB-ztybUG1zg4,587
|
|
95
80
|
mat3ra/esse/models/core/reusable/axis_enum.py,sha256=dyVkL-53ONey-3ZUGVGLLAlJahMmT8ketPO1k-Rg4Gg,219
|
|
@@ -98,7 +83,6 @@ mat3ra/esse/models/core/reusable/categories.py,sha256=Z90c6gdSMUdEYwoThEyusMXb5u
|
|
|
98
83
|
mat3ra/esse/models/core/reusable/category_path.py,sha256=SFyMHOXwrIewKkr4lCZRfSO-oszEx29XEK6TuLJrBtQ,359
|
|
99
84
|
mat3ra/esse/models/core/reusable/dielectric_tensor_component.py,sha256=_rr6oeTSxUp9iIwaDNt84oeu32_EMXB2vb-MeuxosjY,623
|
|
100
85
|
mat3ra/esse/models/core/reusable/energy.py,sha256=ZlYKLdxiljlWW5MWiW-tj-7RJPFlsSRpFsV6QgwEJD0,512
|
|
101
|
-
mat3ra/esse/models/core/reusable/energy_accuracy_levels.py,sha256=ndCRZOzYZZ-Ok-mjANEKtvOuMSQvE2WzCXqXvrJrNtA,655
|
|
102
86
|
mat3ra/esse/models/core/reusable/file_metadata.py,sha256=DyPL1zQJR3HTyOGgvQzE7BxasTCkVRffeG_4WKfxf-8,520
|
|
103
87
|
mat3ra/esse/models/core/reusable/frequency_function_matrix.py,sha256=I4B-ukMJ_aGpP_PHDd63bW8Jav1mreGeMiLqtrElIno,429
|
|
104
88
|
mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
|
|
@@ -111,12 +95,7 @@ mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7
|
|
|
111
95
|
mat3ra/esse/models/core/reusable/coordinate_conditions/__init__.py,sha256=x3F0hTWnquvTngAvmbwwKJ547QuAvn_oLk6FRfY3Egg,956
|
|
112
96
|
mat3ra/esse/models/core/reusable/coordinate_conditions/base.py,sha256=L7zYSATgDrli55qZhAutLnzOUXCp1PqTxL8-0XRO940,497
|
|
113
97
|
mat3ra/esse/models/core/reusable/coordinate_conditions/box.py,sha256=MldQtO6zNM-C40C4EKR8k4p29RaGGJh_Hc8N2gCTfX8,733
|
|
114
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/cylinder.py,sha256=x9f179N27Ix8Djbj7MI_8XRkg02aMRNftZZclGV6-SU,721
|
|
115
98
|
mat3ra/esse/models/core/reusable/coordinate_conditions/enum.py,sha256=qlOpxIW7i5SowG5-rLSz6DAqIOlIIvPrQyqYMGoZmCQ,337
|
|
116
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/plane.py,sha256=hZHVpkgFEhuzuMXlvgsO7vntA1BGe_hm2W6pZWfkQ74,741
|
|
117
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/sphere.py,sha256=-ZyoNpJTqu6i0EcWpV2t7n7OBuyFaGlICJFPbwpWsyk,660
|
|
118
|
-
mat3ra/esse/models/core/reusable/coordinate_conditions/triangular_prism.py,sha256=JW6AQQFLK_mLfh3HQjSdQsIe409XHLzmyCjGCjrft08,929
|
|
119
|
-
mat3ra/esse/models/core/reusable/energy_accuracy_levels/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
|
|
120
99
|
mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
121
100
|
mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=rMNirWgvD2MCc8jWTZmXCDEbKOcBl4Do5-R9W-mJIM4,652
|
|
122
101
|
mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -124,8 +103,6 @@ mat3ra/esse/models/definitions/chemical_elements.py,sha256=5Rc3-V1m7i_t20FgIVUs0
|
|
|
124
103
|
mat3ra/esse/models/definitions/constants.py,sha256=53q7UtK31QOF3h4rVbOq4vNyXSqSjIL437A78i_5NaA,933
|
|
125
104
|
mat3ra/esse/models/definitions/materials.py,sha256=Qzx6wi3SzRfILeuJlpAoOdFmC5VB1UOW3RkrLTg4XWU,301
|
|
126
105
|
mat3ra/esse/models/definitions/units.py,sha256=4yoh-9dCLZhM02beLXVCuA4TpkPgm-QgEoWTvLkTBEs,296
|
|
127
|
-
mat3ra/esse/models/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
128
|
-
mat3ra/esse/models/enums/chemical_elements.py,sha256=HeEgUBgIGHe7EpGVYQ0uthkg-UDNeWMksgvzbrHjhZA,308
|
|
129
106
|
mat3ra/esse/models/in_memory_entity/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
130
107
|
mat3ra/esse/models/in_memory_entity/base.py,sha256=amGKCTG4wJbOtfjciYGC35WEuExOIxU9k6Fc6Lk1vgk,574
|
|
131
108
|
mat3ra/esse/models/in_memory_entity/defaultable.py,sha256=SAKO1RtMzKoz3d9JBokbzGHy0BOZcD5AfclytyVZ9zU,684
|
|
@@ -140,77 +117,10 @@ mat3ra/esse/models/job/compute.py,sha256=strKlGY8VnnnFij3KxxZr2Hozf2_zhujhTb4cQx
|
|
|
140
117
|
mat3ra/esse/models/material/__init__.py,sha256=XoCMo_vYulZhkJv_V7n4jaw8Ee3ZmVgjD71P6L0DOcw,11673
|
|
141
118
|
mat3ra/esse/models/material/consistency_check.py,sha256=6fF96LF_xOwT4k47Ez3ADx3-yVnREgwY95N5aA12o0c,934
|
|
142
119
|
mat3ra/esse/models/material/conventional.py,sha256=y6PGJsMs4ktea-q9LGZnRIYscFjfWjdZFmeyehAJdBE,303
|
|
143
|
-
mat3ra/esse/models/material/builders/base/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
144
|
-
mat3ra/esse/models/material/builders/base/selector_parameters.py,sha256=ePtuNvhoyfzmhQD1OEwIvzVyteyakcNBqvCoLCPofOw,370
|
|
145
|
-
mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
146
|
-
mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/builder_parameters.py,sha256=4vq5IwymOgpi24Eu1tus6pByU6z27BVTClH9lhjg5Mg,743
|
|
147
|
-
mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py,sha256=EsSL1t4Jkg34czyyG5dOOrrbp1NYPqnw7h73XvlwH5U,2606
|
|
148
|
-
mat3ra/esse/models/material/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
149
|
-
mat3ra/esse/models/material/reusable/repetitions.py,sha256=CpJjyQLz0MoQsp5fiLSCNDE1NfajQYTRjUJTzLb9YHc,754
|
|
150
|
-
mat3ra/esse/models/material/reusable/slab_configuration_with_termination.py,sha256=2g06OxdATJ_Wnxs-W0-lX6YDhdRWV3mJ4wg1kBFOz1I,15576
|
|
151
|
-
mat3ra/esse/models/material/reusable/supercell_matrix_2d.py,sha256=Ul--ruw2s6JRVwu4y6M-YKSZBmZb6uI-pfC-Ua0ZWus,722
|
|
152
|
-
mat3ra/esse/models/material/reusable/supercell_matrix_3d.py,sha256=tqKLcZyV3zaSq2I4dZR6mVB-EMoykMvOh-lBaKh_cZc,784
|
|
153
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
154
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/base.py,sha256=hJ1d7RipRxjQAa3X1mCLqJQDb7c_J75WZsjwRhjPHeI,501
|
|
155
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/box.py,sha256=rmBBYJxNHm88JwLWt9dophRNDAJspUNNsPEs1_rUR5s,677
|
|
156
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/cylinder.py,sha256=qyI2xEO47u69sW-Fytbzw7vfyA2PuTd5aMnp_EZ6drs,744
|
|
157
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/plane.py,sha256=E-ty2O5JCPWlM4kQu4phYeNxk-GJiegV6kwi6h7ixfI,689
|
|
158
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/sphere.py,sha256=TzA9skQ5GOEItZjlp3S2qCylZAhGFa6ZdF6qf3LJyuQ,676
|
|
159
|
-
mat3ra/esse/models/material/reusable/coordinate_conditions/triangular_prism.py,sha256=5opNLpzZj2s_v_gUHROv-joE6sfG-Sx2hMky3-fzz3Y,843
|
|
160
|
-
mat3ra/esse/models/material/reusable/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
161
|
-
mat3ra/esse/models/material/reusable/slab/enums.py,sha256=ahZsneu0LQal4eYK3wo1YbFZKogytxYYMm0DEh8e4KQ,252
|
|
162
|
-
mat3ra/esse/models/material/reusable/slab/miller_indices.py,sha256=FIqFq2U34Q0g5zA8QF9twGHEc3vbkeyJb8fcexQJn8Q,467
|
|
163
|
-
mat3ra/esse/models/material/reusable/slab/number_of_layers.py,sha256=-tw5Z2q1eIXe3rm3XOCI_ux31QS6463sb3n0qHQ8Tkc,440
|
|
164
|
-
mat3ra/esse/models/material/reusable/slab/slab_configuration_with_termination.py,sha256=toHZlEtuVcKXTBt_aKg8bveYrsFu3NgijUmoEYcG9xI,13776
|
|
165
|
-
mat3ra/esse/models/material/reusable/slab/slab_with_termination.py,sha256=Z10EKD_ijcMTcNdzrB_E4a9qakwzUICe0a76EfftsCQ,13835
|
|
166
|
-
mat3ra/esse/models/material/reusable/slab/termination.py,sha256=uYyGTGpqCV1QFvfEYBNu_DU1z7HJRAqlZ4jDbGorxEc,2359
|
|
167
|
-
mat3ra/esse/models/material/reusable/slab/two_slabs_stack.py,sha256=VEfVT6nel6uuC75bCHKMSwE7FsUerc_JvXVSm9QcKdo,14474
|
|
168
|
-
mat3ra/esse/models/material/reusable/slab/vacuum.py,sha256=GlJFBUUYc8JP-zqdLXaUf899-3fy1X2p_sdzbpwPlw8,421
|
|
169
|
-
mat3ra/esse/models/material/reusable/slab/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
170
|
-
mat3ra/esse/models/material/reusable/slab/enums/exposed_face.py,sha256=-MUlEELT-ec-0XtmZrsrs2HVviP-ITmhxJYiR_1ab5M,268
|
|
171
|
-
mat3ra/esse/models/material/reusable/stack/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
172
|
-
mat3ra/esse/models/material/reusable/stack/slab_configuration_with_termination.py,sha256=VvSEirucIX05yor2YRN2RSjuM9yJUr-RzvHKLDs_Aow,13848
|
|
173
|
-
mat3ra/esse/models/material/reusable/stack/slab_in_stack.py,sha256=EYiv2pAkhBeBfW-82TYN6Pqy3xaVGetUe5cbK1vfQJk,15780
|
|
174
|
-
mat3ra/esse/models/material/reusable/stack/stack_of_slabs.py,sha256=d22cbirT2w3JLMkb6cyBAtj-_I1-RqOQKtnwG4Jp80w,16206
|
|
175
|
-
mat3ra/esse/models/material/reusable/stack/stack_of_two_slabs.py,sha256=2r5ahhJxqdxiI0DlQ0ZynOCc3zmMq7_7S0t7VehzzSQ,16227
|
|
176
|
-
mat3ra/esse/models/material/reusable/supercell/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
177
|
-
mat3ra/esse/models/material/reusable/supercell/supercell_matrix_2d.py,sha256=0mPs-IG3peUVWwcGXg_t9dPFF5mEdbAFT4BFJQuxUBk,732
|
|
178
|
-
mat3ra/esse/models/material/reusable/supercell/supercell_matrix_3d.py,sha256=Xk7UJOANBV7jtdidt39h4cOpadjl_itd83l5G6zDQgI,794
|
|
179
|
-
mat3ra/esse/models/materials_category/defects/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
180
|
-
mat3ra/esse/models/materials_category/defects/configuration.py,sha256=x76zm65ZyoN_DEeW0670npXC8YMnVqn7Sq8w4_brBPM,12068
|
|
181
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/adatom/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
182
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/adatom/configuration.py,sha256=2M201dD4MklthjHH_cRoHhZlQfq-q95mnJeP8_RmaQI,14018
|
|
183
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/layered/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
184
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/layered/configuration.py,sha256=wUbdpvnBiX6GkKi0MEbN_rFqUHoNNQEgGN2iPUP9khk,12282
|
|
185
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/point/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
186
|
-
mat3ra/esse/models/materials_category/defects/by_host/two_dimensional/point/configuration.py,sha256=8XPz4OHhV4Gsv1PGHxzq22AzdIjF4tia0XYSdEgG7D8,12308
|
|
187
|
-
mat3ra/esse/models/materials_category/defects/enums/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
188
|
-
mat3ra/esse/models/materials_category/defects/enums/point_defect_type.py,sha256=Wsg5UOsO9cvpuATN0RMPIwuo8DsEBCQDa2X4pez22Ho,313
|
|
189
|
-
mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
190
|
-
mat3ra/esse/models/materials_category/defects/one_dimensional/terrace/configuration.py,sha256=nLnMwm_Dc4mYHYP3Yrz0qooqje38fOwaAecuXuf2jWE,12798
|
|
191
|
-
mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
192
|
-
mat3ra/esse/models/materials_category/defects/two_dimensional/grain_boundary_plane/configuration.py,sha256=uZY455jUraEXrS1Q9wb-XfIDKHM3aUZ-qykDeI3iWY0,27385
|
|
193
|
-
mat3ra/esse/models/materials_category/defects/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
194
|
-
mat3ra/esse/models/materials_category/defects/two_dimensional/island/condition_json.py,sha256=RnKPBWrycEr-fU4X7NKZ1tdRlYFcFM-y4cW44rb_wrE,863
|
|
195
|
-
mat3ra/esse/models/materials_category/defects/two_dimensional/island/configuration.py,sha256=ESb5xFkiXH42aqIltQQ-9WEJyYqIuY5g63AcwWESjks,12817
|
|
196
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
197
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/complex/pair/configuration.py,sha256=lS0TGkwNhfpFlSHoCLpVbqsPCaQbVbzwL0oFnsc4_3s,33490
|
|
198
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
199
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/configuration.py,sha256=8yrw_WxsGg_s8b5gPV_5OF26gDj0mgNx8jzV-Spcc8c,13995
|
|
200
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
201
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/interstitial/configuration.py,sha256=K-wsFIFxJI3_WtH6ZdhV3yIRD5yKV4nsn4yMB3BJq1o,14040
|
|
202
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
203
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/substitution/configuration.py,sha256=tlfIMAonNwQLv4Jax_xssBR8vEE0yThxplwdCbVoy8o,14044
|
|
204
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
205
|
-
mat3ra/esse/models/materials_category/defects/zero_dimensional/point/vacancy/configuration.py,sha256=piucwaXcimn031aiU_1A17bwPhpcx35pPeNC9z-lc60,14025
|
|
206
|
-
mat3ra/esse/models/materials_category/multi_material/interfaces/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
207
|
-
mat3ra/esse/models/materials_category/multi_material/interfaces/configuration.py,sha256=56svgFCbz6vmKQnUiuO5CgCIuqAlO0wdX3YctuMUkbs,16216
|
|
208
120
|
mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
209
121
|
mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py,sha256=x8ZwbukFhJaa3J2b_WnGMyUXYtbqpMme-fo7ZmfYg6Q,11739
|
|
210
122
|
mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
211
123
|
mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=-xN_Avv0ydJ2qNxv3xZwD452_PEDsTGx1ToD14nXf30,24933
|
|
212
|
-
mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
213
|
-
mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py,sha256=gG-dtEKQPSJgGFIjTu41er0By7B1iVFMWE2qiIMU2OI,13098
|
|
214
124
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
215
125
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/three_dimensional/supercell_matrix_3d.py,sha256=6VlpXs4gqlukSqaB4MHX2WSZQwGjbJvyIiKIw4yAdg4,898
|
|
216
126
|
mat3ra/esse/models/materials_category_components/entities/auxiliary/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -362,10 +272,8 @@ mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=K1-bsq8dbxoGtm3
|
|
|
362
272
|
mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=oAFMywLm2byFzGwmW1Qf7w6eh2hnZykNbZbYNzUJfPI,2819
|
|
363
273
|
mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
364
274
|
mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=uiN1GsD9dGzZoTghN6hhdA8m3fyBbvbXZH8YYAkjUb0,646
|
|
365
|
-
mat3ra/esse/models/methods_directory/physical/psp/file/__init__.py,sha256=8gFp613RK_b8Od1hIkbX1IPp13ZXwQ1T0QaujsGQ0kQ,3207
|
|
366
275
|
mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
367
276
|
mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=PV8Ua7SknUN_9SmJG7XiSX-lM5OhjTCalh87HSLGeY8,651
|
|
368
|
-
mat3ra/esse/models/methods_directory/physical/psp/file_data_item/__init__.py,sha256=ukQezAfWOc5x7zLz6brudvHbwjkITIJVSFjqsmCPVwU,2820
|
|
369
277
|
mat3ra/esse/models/methods_directory/physical/psp/file_data_item/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
370
278
|
mat3ra/esse/models/methods_directory/physical/psp/file_data_item/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=IN_tsdbJVe_bclu-eIYCDdWCh38lxw7UzDV2G5Q3VIg,661
|
|
371
279
|
mat3ra/esse/models/model/__init__.py,sha256=7-Ki1GmKMTblyAu60sLMgmylH0H0nxXB_aJyB4NoMPU,982
|
|
@@ -484,7 +392,6 @@ mat3ra/esse/models/properties_directory/structural/basis/atomic_labels.py,sha256
|
|
|
484
392
|
mat3ra/esse/models/properties_directory/structural/basis/bonds.py,sha256=cToJoqVarNjMvpFfAYFUpQ0dYUFFeIToj6sDXk3pbkA,929
|
|
485
393
|
mat3ra/esse/models/properties_directory/structural/basis/units_enum.py,sha256=UXeF7m08cdRo2GEsA7dXXwvLjh4Fq8DpWBlM29kUaQ4,266
|
|
486
394
|
mat3ra/esse/models/properties_directory/structural/lattice/__init__.py,sha256=J9gMT0etIOeoJXm0U4ugB9q-zYfI27XNmOnEyqv55YY,2343
|
|
487
|
-
mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py,sha256=QytTdHhvhUCCKknKO4-VGNUk-409OokrzvyR7oRy5JE,1546
|
|
488
395
|
mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py,sha256=NOVgEB8gfdLGewqFk7V6wwT4VILyKeiOIp4fIAcdCrw,655
|
|
489
396
|
mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py,sha256=gZtoI5CHbSUtr9W-PqWkDBwAN-4eNCRKuEW41ZYOc-Q,448
|
|
490
397
|
mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py,sha256=jEw00CIiKdPSxpefwR0rwqPkNuIZ1Uq56emjvfQbMvo,725
|
|
@@ -506,16 +413,12 @@ mat3ra/esse/models/property/base.py,sha256=mb5Q1XgYt7WrFhUir0O99ufQNzhiJog0yfoqE
|
|
|
506
413
|
mat3ra/esse/models/property/meta.py,sha256=i2vBnAMuEmTXNS00Id73OM4SicwTwtmaM8hGJ9-Qucw,4996
|
|
507
414
|
mat3ra/esse/models/property/raw.py,sha256=OhVfEY-876sr9QwnxuvHGzW_GBhhOcV11rLlASZu_RE,5000
|
|
508
415
|
mat3ra/esse/models/property/source.py,sha256=lr_eBXAwQ9c_I0hQUFUe9EOg7nDEgoG3CDOnsh_lo_A,3466
|
|
509
|
-
mat3ra/esse/models/property/base/__init__.py,sha256=DUlRfAgAm8NPwxpfFNNgHLKEJKKSdVUxBFDVkSgq9ic,5004
|
|
510
416
|
mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
511
417
|
mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=Ri6Ljt0BIssI8U6wT-84HYlxC3NkRHPrkrAPSy0qPt8,826
|
|
512
|
-
mat3ra/esse/models/property/meta/__init__.py,sha256=JCqoIdJmQ9KfnREGOEzlzoXnvy66TqckPSBZz5xKUtM,4997
|
|
513
418
|
mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
514
419
|
mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=APGwKbjHU1X83PXkfG8w7zEwQLdD-2u8qZX7wk5L5k0,826
|
|
515
|
-
mat3ra/esse/models/property/raw/__init__.py,sha256=bRctI-s7N3VGpvOuiTBuj60Y7hqlOTRqpn7hi30X4kA,5001
|
|
516
420
|
mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
517
421
|
mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=_d4Ujayas-Ehblbfoq8ooSPTou9ve_3de2gGFXFKwHw,825
|
|
518
|
-
mat3ra/esse/models/property/source/__init__.py,sha256=EJixEBrazelX8MdYfS19-BQd3SpNbEXp2-TQmOAv5Ck,3466
|
|
519
422
|
mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
520
423
|
mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=KUu54vLIk_EiN-kbfBgXPmnqcilU8sxEq87PGEjF-qA,828
|
|
521
424
|
mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
@@ -587,22 +490,6 @@ mat3ra/esse/models/system/status.py,sha256=q1j3BgkOZtTBEVf5-S-4xMteCfpZj23OeXTvk
|
|
|
587
490
|
mat3ra/esse/models/system/tags.py,sha256=47rtLMx0uXWXt7SgC1oo_ULTFjAKNy6e-z5dRjA6BbE,297
|
|
588
491
|
mat3ra/esse/models/system/timestampable.py,sha256=K_OjETeZlGTis8AHWbUDsWfElwdUVOmgb6rd3V01B90,515
|
|
589
492
|
mat3ra/esse/models/system/use_values.py,sha256=NUupiTBXAV4o0ChySaGAgxIyMvMEoqnb3MUGN1MgSo8,264
|
|
590
|
-
mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
591
|
-
mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/atoms.py,sha256=cT_8f1J3kqEzzeYQakbbb-TghOH9Q51-lGqHMW-nUO4,1451
|
|
592
|
-
mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/db_entry.py,sha256=5mzvTHBl53b_v5qXYB9WmPrmFCsrmFQ1--IG0ssuFAc,1909
|
|
593
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
594
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py,sha256=Mb7xzAHQ2Q_gaxVsulzSqN7i0mDr9NpdTUNvVEZCVp4,74719
|
|
595
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
|
|
596
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=VTVk6tbE8ysJw-omg65lB_zwoCftvtXXCOb8s9mzouY,1271
|
|
597
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py,sha256=QANo7AbvPQsyyCHi3s9yn0uiWGaEK-wRmWQLaBIvo_A,1180
|
|
598
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py,sha256=NntsVTxamNQus2Kjw7zQzbcA0gzwT8ZG8V9lMwtOonM,3342
|
|
599
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py,sha256=mKZVlTtB_VtkpHdvFc_lNCteGK1icrAcIoS1JYtRj-s,1241
|
|
600
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py,sha256=wFFFfoVtrZokJUa_Q8E254PQ8jGgue20ChDXKQbht2w,8786
|
|
601
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py,sha256=RSr8tLSEKnvGpHwMCnpvlNOFAoWkoB9hRcCc5qglJEA,4849
|
|
602
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py,sha256=cpLf1WIFKiBBITOtwdfTMDITey0-RWFt7YYrG0cpxis,4541
|
|
603
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py,sha256=x9z_-fv2nLNIvi5DvAnMHsNgfpwxHHm2lesZi8PS_gM,15280
|
|
604
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py,sha256=hsX6lP_-ogOpgASJHNUmHxJzHtODOeUaAIPUVRowTYY,1602
|
|
605
|
-
mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py,sha256=f1yAIjBanUacmmB8qG0zGoZNJoStMjOK2b4CldqKnmU,34350
|
|
606
493
|
mat3ra/esse/models/workflow/__init__.py,sha256=iLO59cteWZYjVsJS5ecF3COT37xI6IdwCegKL3_gZlU,59612
|
|
607
494
|
mat3ra/esse/models/workflow/base.py,sha256=7dDTOLX9JmBJlimUj8UlCrmKHWNuaOMiQpHGEuS0-IY,1252
|
|
608
495
|
mat3ra/esse/models/workflow/base_flow.py,sha256=cvAa8lNFHyOyVsqs1dqE6vieRcnET_7Hn-du93BnHKA,5987
|
|
@@ -636,8 +523,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
|
|
|
636
523
|
mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
|
|
637
524
|
mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
|
|
638
525
|
mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
|
|
639
|
-
mat3ra_esse-2025.6.
|
|
640
|
-
mat3ra_esse-2025.6.
|
|
641
|
-
mat3ra_esse-2025.6.
|
|
642
|
-
mat3ra_esse-2025.6.
|
|
643
|
-
mat3ra_esse-2025.6.
|
|
526
|
+
mat3ra_esse-2025.6.30.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
|
|
527
|
+
mat3ra_esse-2025.6.30.post0.dist-info/METADATA,sha256=MWqH3mmubYWZckvVzGXxj3lP03yLSdHTApmHtuXXOVo,9000
|
|
528
|
+
mat3ra_esse-2025.6.30.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
|
|
529
|
+
mat3ra_esse-2025.6.30.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
|
|
530
|
+
mat3ra_esse-2025.6.30.post0.dist-info/RECORD,,
|
|
@@ -1,15 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: coordinates_shape_enum.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from enum import Enum
|
|
8
|
-
|
|
9
|
-
|
|
10
|
-
class CoordinateShapeEnum(Enum):
|
|
11
|
-
cylinder = "cylinder"
|
|
12
|
-
sphere = "sphere"
|
|
13
|
-
box = "box"
|
|
14
|
-
triangular_prism = "triangular_prism"
|
|
15
|
-
plane = "plane"
|
|
@@ -1,17 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/2d_data.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List, Union
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class Field2DimensionDataSchema(BaseModel):
|
|
13
|
-
xDataArray: List
|
|
14
|
-
"""
|
|
15
|
-
array containing values of x Axis
|
|
16
|
-
"""
|
|
17
|
-
yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")
|
|
@@ -1,34 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/2d_plot.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List, Optional, Union
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class AxisSchema(BaseModel):
|
|
13
|
-
label: str
|
|
14
|
-
"""
|
|
15
|
-
label of an axis object
|
|
16
|
-
"""
|
|
17
|
-
units: Optional[str] = None
|
|
18
|
-
"""
|
|
19
|
-
units for an axis
|
|
20
|
-
"""
|
|
21
|
-
|
|
22
|
-
|
|
23
|
-
class Field2DimensionPlotSchema(BaseModel):
|
|
24
|
-
xAxis: AxisSchema = Field(..., title="axis schema")
|
|
25
|
-
yAxis: AxisSchema = Field(..., title="axis schema")
|
|
26
|
-
legend: Optional[List] = Field(None, min_length=1)
|
|
27
|
-
"""
|
|
28
|
-
Legend of y Axis data series
|
|
29
|
-
"""
|
|
30
|
-
xDataArray: List
|
|
31
|
-
"""
|
|
32
|
-
array containing values of x Axis
|
|
33
|
-
"""
|
|
34
|
-
yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")
|
|
@@ -1,14 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/3d_grid.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class Field3DimensionalGridSchema(BaseModel):
|
|
13
|
-
dimensions: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
14
|
-
shifts: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
@@ -1,19 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/3d_tensor.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import Any, List
|
|
8
|
-
|
|
9
|
-
from pydantic import Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
|
|
13
|
-
root: List[Any] = Field(..., title="array of 3 number elements schema")
|
|
14
|
-
|
|
15
|
-
|
|
16
|
-
class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
|
|
17
|
-
root: List[ArrayOf3NumberElementsSchema] = Field(
|
|
18
|
-
..., max_length=3, min_length=3, title="3 dimensional tensor schema"
|
|
19
|
-
)
|
|
@@ -1,15 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/3d_vector_basis.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class Field3DimensionalVectorBasis(BaseModel):
|
|
13
|
-
a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
14
|
-
b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
15
|
-
c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
@@ -1,19 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/3d_tensor.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List
|
|
8
|
-
|
|
9
|
-
from pydantic import Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
|
|
13
|
-
root: List[float] = Field(..., title="array of 3 number elements schema")
|
|
14
|
-
|
|
15
|
-
|
|
16
|
-
class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
|
|
17
|
-
root: List[ArrayOf3NumberElementsSchema] = Field(
|
|
18
|
-
..., max_length=3, min_length=3, title="3 dimensional tensor schema"
|
|
19
|
-
)
|
|
@@ -1,15 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/3d_vector_basis.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class Field3DimensionalVectorBasis(BaseModel):
|
|
13
|
-
a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
14
|
-
b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
15
|
-
c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
|
|
@@ -1,13 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/point.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List
|
|
8
|
-
|
|
9
|
-
from pydantic import Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class PointSchema(RootModel[List[float]]):
|
|
13
|
-
root: List[float] = Field(..., max_length=3, min_length=3, title="point schema")
|
|
@@ -1,13 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/abstract/vector.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List, Union
|
|
8
|
-
|
|
9
|
-
from pydantic import Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class ESSE(RootModel[Union[List[float], List[bool]]]):
|
|
13
|
-
root: Union[List[float], List[bool]] = Field(..., title="vector schema")
|
|
@@ -1,13 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/primitive/1d_data_series.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List, Union
|
|
8
|
-
|
|
9
|
-
from pydantic import Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class Field1DimensionDataSeriesSchema(RootModel[List[List[Union[float, str]]]]):
|
|
13
|
-
root: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")
|
|
@@ -1,34 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/primitive/3d_lattice.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from pydantic import BaseModel
|
|
8
|
-
|
|
9
|
-
|
|
10
|
-
class Field3DimensionalLatticeSchema(BaseModel):
|
|
11
|
-
a: float
|
|
12
|
-
"""
|
|
13
|
-
length of the first lattice vector
|
|
14
|
-
"""
|
|
15
|
-
b: float
|
|
16
|
-
"""
|
|
17
|
-
length of the second lattice vector
|
|
18
|
-
"""
|
|
19
|
-
c: float
|
|
20
|
-
"""
|
|
21
|
-
length of the third lattice vector
|
|
22
|
-
"""
|
|
23
|
-
alpha: float
|
|
24
|
-
"""
|
|
25
|
-
angle between first and second lattice vector
|
|
26
|
-
"""
|
|
27
|
-
beta: float
|
|
28
|
-
"""
|
|
29
|
-
angle between second and third lattice vector
|
|
30
|
-
"""
|
|
31
|
-
gamma: float
|
|
32
|
-
"""
|
|
33
|
-
angle between first and third lattice vector
|
|
34
|
-
"""
|
|
@@ -1,34 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/primitive/3d_lattice.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from pydantic import BaseModel
|
|
8
|
-
|
|
9
|
-
|
|
10
|
-
class Field3DimensionalLatticeSchema(BaseModel):
|
|
11
|
-
a: float
|
|
12
|
-
"""
|
|
13
|
-
length of the first lattice vector
|
|
14
|
-
"""
|
|
15
|
-
b: float
|
|
16
|
-
"""
|
|
17
|
-
length of the second lattice vector
|
|
18
|
-
"""
|
|
19
|
-
c: float
|
|
20
|
-
"""
|
|
21
|
-
length of the third lattice vector
|
|
22
|
-
"""
|
|
23
|
-
alpha: float
|
|
24
|
-
"""
|
|
25
|
-
angle between first and second lattice vector
|
|
26
|
-
"""
|
|
27
|
-
beta: float
|
|
28
|
-
"""
|
|
29
|
-
angle between second and third lattice vector
|
|
30
|
-
"""
|
|
31
|
-
gamma: float
|
|
32
|
-
"""
|
|
33
|
-
angle between first and third lattice vector
|
|
34
|
-
"""
|
|
@@ -1,27 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/reusable/accuracy_level.json
|
|
3
|
-
# version: 0.25.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import Optional
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, ConfigDict
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class ReusableAccuracyLevelsSchema(BaseModel):
|
|
13
|
-
model_config = ConfigDict(
|
|
14
|
-
extra="forbid",
|
|
15
|
-
)
|
|
16
|
-
standard: Optional[float] = None
|
|
17
|
-
"""
|
|
18
|
-
Parameter value for standard or default accuracy calculation.
|
|
19
|
-
"""
|
|
20
|
-
high: Optional[float] = None
|
|
21
|
-
"""
|
|
22
|
-
Parameter value for high precision calculation.
|
|
23
|
-
"""
|
|
24
|
-
low: Optional[float] = None
|
|
25
|
-
"""
|
|
26
|
-
Parameter value for low precision calculation.
|
|
27
|
-
"""
|
|
@@ -1,24 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/reusable/atomic_strings.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from typing import List, Optional
|
|
8
|
-
|
|
9
|
-
from pydantic import BaseModel, Field, RootModel
|
|
10
|
-
|
|
11
|
-
|
|
12
|
-
class AtomicStringsVectorsSchemaItem(BaseModel):
|
|
13
|
-
value: Optional[str] = None
|
|
14
|
-
id: Optional[int] = None
|
|
15
|
-
"""
|
|
16
|
-
integer id of this entry
|
|
17
|
-
"""
|
|
18
|
-
|
|
19
|
-
|
|
20
|
-
class AtomicStringsVectorsSchema(RootModel[List[AtomicStringsVectorsSchemaItem]]):
|
|
21
|
-
root: List[AtomicStringsVectorsSchemaItem] = Field(..., title="atomic strings vectors schema")
|
|
22
|
-
"""
|
|
23
|
-
array of objects containing integer id each
|
|
24
|
-
"""
|
|
@@ -1,26 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/reusable/coordinate_conditions/cylinder.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from enum import Enum
|
|
8
|
-
from typing import List, Literal, Optional
|
|
9
|
-
|
|
10
|
-
from pydantic import BaseModel, Field
|
|
11
|
-
|
|
12
|
-
|
|
13
|
-
class CoordinateShapeEnum(Enum):
|
|
14
|
-
cylinder = "cylinder"
|
|
15
|
-
sphere = "sphere"
|
|
16
|
-
box = "box"
|
|
17
|
-
triangular_prism = "triangular_prism"
|
|
18
|
-
plane = "plane"
|
|
19
|
-
|
|
20
|
-
|
|
21
|
-
class CylinderCoordinateConditionSchema(BaseModel):
|
|
22
|
-
shape: Literal["cylinder"] = Field(..., title="Coordinate Shape Enum")
|
|
23
|
-
center_coordinate: Optional[List[float]] = Field(None, max_length=3, min_length=3, title="coordinate 3d schema")
|
|
24
|
-
radius: float
|
|
25
|
-
min_z: float
|
|
26
|
-
max_z: float
|
|
@@ -1,24 +0,0 @@
|
|
|
1
|
-
# generated by datamodel-codegen:
|
|
2
|
-
# filename: core/reusable/coordinate_conditions/plane.json
|
|
3
|
-
# version: 0.28.5
|
|
4
|
-
|
|
5
|
-
from __future__ import annotations
|
|
6
|
-
|
|
7
|
-
from enum import Enum
|
|
8
|
-
from typing import List, Literal
|
|
9
|
-
|
|
10
|
-
from pydantic import BaseModel, Field
|
|
11
|
-
|
|
12
|
-
|
|
13
|
-
class CoordinateShapeEnum(Enum):
|
|
14
|
-
cylinder = "cylinder"
|
|
15
|
-
sphere = "sphere"
|
|
16
|
-
box = "box"
|
|
17
|
-
triangular_prism = "triangular_prism"
|
|
18
|
-
plane = "plane"
|
|
19
|
-
|
|
20
|
-
|
|
21
|
-
class PlaneCoordinateConditionSchema(BaseModel):
|
|
22
|
-
shape: Literal["plane"] = Field(..., title="Coordinate Shape Enum")
|
|
23
|
-
plane_normal: List[float] = Field(..., max_length=3, min_length=3, title="vector 3d schema")
|
|
24
|
-
plane_point_coordinate: List[float] = Field(..., max_length=3, min_length=3, title="coordinate 3d schema")
|