mat3ra-esse 2025.8.6.post0__py3-none-any.whl → 2025.8.8.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.
Files changed (24) hide show
  1. mat3ra/esse/data/examples.py +1 -1
  2. mat3ra/esse/data/schemas.py +1 -1
  3. mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py +15 -12
  4. mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py +15 -12
  5. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py +9 -6
  6. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py +15 -12
  7. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py +11 -8
  8. mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py +11 -8
  9. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +9 -6
  10. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +7 -4
  11. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +7 -4
  12. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +7 -4
  13. mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +9 -6
  14. mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py +8 -5
  15. mat3ra/esse/models/software/template.py +4 -0
  16. mat3ra/esse/models/software_directory/modeling/unit/execution.py +4 -0
  17. mat3ra/esse/models/software_directory/scripting/unit/execution.py +4 -0
  18. mat3ra/esse/models/workflow/unit/input/_input.py +4 -0
  19. mat3ra/esse/models/workflow/unit/input/_inputItem.py +4 -0
  20. {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/METADATA +1 -1
  21. {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/RECORD +24 -24
  22. {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/WHEEL +0 -0
  23. {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/licenses/LICENSE.md +0 -0
  24. {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/top_level.txt +0 -0
@@ -2,9 +2,9 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
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  mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
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  mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- mat3ra/esse/data/examples.py,sha256=b6SUEX9YDXqgwVIgipYXbEUSvEHdk_CPhVK2CuFv97I,144627
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+ mat3ra/esse/data/examples.py,sha256=IRKlXpR535KjfwLGC7w5tFS2kRswZY5RMyQlWTyGBmE,145089
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  mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
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- mat3ra/esse/data/schemas.py,sha256=2bL-0BZXOlBycD1J8PNwDAAs4G1oIgKasOo3wv71LXY,3159643
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+ mat3ra/esse/data/schemas.py,sha256=Ksu9u7XKDciuBRArmaDjXgG4UFhj6n0N-diLheF5nnQ,3168934
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  mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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  mat3ra/esse/models/element.py,sha256=xuuFQRP6wE4SFXggipRsAexGPo10DorQqoWUG_pUnPA,2950
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  mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
@@ -120,19 +120,19 @@ mat3ra/esse/models/material/__init__.py,sha256=ZMAUxmfDM0DSDb4cMbOYmGG6DVfFhqvSC
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  mat3ra/esse/models/material/consistency_check.py,sha256=6fF96LF_xOwT4k47Ez3ADx3-yVnREgwY95N5aA12o0c,934
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  mat3ra/esse/models/material/conventional.py,sha256=y6PGJsMs4ktea-q9LGZnRIYscFjfWjdZFmeyehAJdBE,303
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  mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py,sha256=Lss6YpLPEMc0qs-uOP_w_5_DS9rIi3PaGGBUlgP82is,97025
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+ mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py,sha256=nL8M94tAa0Qqwtmd-M87MmlcTcuq1oar8HcPMq_WhdA,97106
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  mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py,sha256=zubibL2yTa343fO4scincqVe72EnpnfRufl46_7sExo,97149
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+ mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py,sha256=2WEyPVnlyurT4aBEPmQBM9BQuV2eUkv2aYiThLazvIg,97230
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  mat3ra/esse/models/materials_category/defective_structures/two_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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  mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py,sha256=zeuPPxKU5by-gg9-uHN-XFT86oPqDnQG7QWT3bwq0v4,46017
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+ mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py,sha256=i9QkCYsmPIAPv8WvBw1_UOCMFQlGdajUUQkH_0A0Ew8,46065
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  mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py,sha256=p8Ymxq_DIDGahz8PoGgFFVShur9qnZmkY81M738frog,96704
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+ mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py,sha256=IuLezWyDLXQgxocR8-cZk9Eaw7Pu-o_UCZyslsF-TqY,96785
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  mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=KaE8HQBXGO1JdnWCFQbPvT5nrjxKNHFAShMYURkbaOY,65197
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+ mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py,sha256=Ywaw0XuOdhyXtuYgu5tjRCtNKnwUa4S3yxx4HpFcYy0,65256
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  mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=lPSIhaIOYDkoheWohie0z-kHHCPOtSwyIYaECQ6QoVw,65388
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+ mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py,sha256=6J7Ar2zcQyIFw_CM5FZ0lra1rg5xOei9vK7QPZTY5Fc,65447
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  mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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@@ -141,10 +141,10 @@ mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/poin
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  mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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  mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py,sha256=_c4rgXKiN8vtiPBDCq2I0QSo92vHWNkx3ctC7NeePa4,11753
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- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py,sha256=Gr8nn5VNui5L-PPMt1KjUBpqoyANczLb8Otj01v5ydE,35417
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- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=F7IR9SoaGUqjIImWY08S4ohQnlROTEwndaD0w9DFjEo,25493
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- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=HxDISOLJruAOttTyJQu7ZRDPbSTF4qavcbo9MQNeYGg,24737
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- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py,sha256=IhTDPwY3uGX15UBmXwlSHfLOkLJmhrbNNA8vn6R_vww,25473
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+ mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py,sha256=LaO2IuxTr33p_gzLD45rSbS7WanbR8pByQlhTyK2Jqo,35465
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+ mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=rlq44liXvAH7Nq11oCvk5Sds2FHNrJC3YANvsjWSMCM,25530
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+ mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=UOTv3LoXrcQTMWZamTnJ66vLWScq-PtCqiJS2NWMEmQ,24774
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+ mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py,sha256=cjDaNyOtgnTxzE2hWirloJPdMYor_OB-Ur0BO8HFZhQ,25510
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@@ -184,12 +184,12 @@ mat3ra/esse/models/materials_category_components/entities/reusable/two_dimension
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- mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py,sha256=WOyBwqpxcUUsNlu-0vlBNOtyENJEHkzkqsxdVUuNL8E,34699
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+ mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py,sha256=EW7CFruuiob5Tuaw-IU3m2DvgLubn-Vw9vvV86PFSY0,34747
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- mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py,sha256=hMNteD31qQ6lX05GJSoGlF8I9TdArCjSEhWjgNqmL00,779
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+ mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py,sha256=p3pdL7qhxTKCfosOaZMw2q4OC4MkSZhEnAh0z9XcKV0,806
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@@ -465,7 +465,7 @@ mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiO
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- mat3ra/esse/models/software/template.py,sha256=Vx1ZSRDGsZpICjfwwLuqZbIiUSVv6ziHmA0KVKg-wvg,1037
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+ mat3ra/esse/models/software/template.py,sha256=t-D9dRt3FzY7p452VkzWxmr0pS9gKJ8qpyO5wcctIN4,1150
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@@ -488,13 +488,13 @@ mat3ra/esse/models/software_directory/modeling/vasp.py,sha256=nAutKdGw4rnzzPVE5u
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+ mat3ra/esse/models/software_directory/modeling/unit/execution.py,sha256=0cQbEAAwHTNIVlhuzR9-20ravimp0s4ICIa6m4ukMAE,8115
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+ mat3ra/esse/models/software_directory/scripting/unit/execution.py,sha256=tSaaKxtJa0Bs7c5f0LVDtRykkQWi9kqKcvvWe_9lSDg,8084
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@@ -547,8 +547,8 @@ mat3ra/esse/models/workflow/unit/processing.py,sha256=DyJe3LQ6k1CWmezkc0Vg5aB3_W
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- mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=PF8nSvxJ3SlHpf8N42NlZshw7yqFvb_qsO6ST-BLnHc,425
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+ mat3ra/esse/models/workflow/unit/input/_input.py,sha256=E5XgVUuwtTIodyjVqfpksAym2DooMv5onyJpWqeIaLE,1302
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+ mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=k8fVHW9kKRt8VGbBwUF22WJsF6qwUuySDsGoO4nXkqo,538
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