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.
- mat3ra/esse/data/examples.py +1 -1
- mat3ra/esse/data/schemas.py +1 -1
- mat3ra/esse/models/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/adatom/configuration.py +9 -6
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.py +15 -12
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/island/configuration.py +11 -8
- mat3ra/esse/models/materials_category/defective_structures/two_dimensional/terrace/configuration.py +11 -8
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +9 -6
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +7 -4
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +7 -4
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +7 -4
- mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +9 -6
- mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py +8 -5
- mat3ra/esse/models/software/template.py +4 -0
- mat3ra/esse/models/software_directory/modeling/unit/execution.py +4 -0
- mat3ra/esse/models/software_directory/scripting/unit/execution.py +4 -0
- mat3ra/esse/models/workflow/unit/input/_input.py +4 -0
- mat3ra/esse/models/workflow/unit/input/_inputItem.py +4 -0
- {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/METADATA +1 -1
- {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/RECORD +24 -24
- {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/licenses/LICENSE.md +0 -0
- {mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/top_level.txt +0 -0
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@@ -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=
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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=
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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
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@@ -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=
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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=
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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/base_configuration.py,sha256=NAvvdY-Y96fJJF2-dIQT_RUULnsba89HTeEcUB9QA7A,34124
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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=
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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=
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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=
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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=
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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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mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.py,sha256=I3pZiB4ivSxKo_8_VkOOmGk_GcKe-Q4bJSUfgd6JTHE,12135
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mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py,sha256=agQO-24UY_HExqjbcIb9JrnTT9baoDDEem9NxTCZpCs,23526
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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/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py,sha256=
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mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py,sha256=
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mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py,sha256=
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mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py,sha256=
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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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mat3ra/esse/models/materials_category/processed_structures/two_dimensional/passivation/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/materials_category/processed_structures/two_dimensional/passivation/configuration.py,sha256=DPYIs_ICWnjFkZlWArImG_j6l3YH1zBdHb3crQSxsaE,25469
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mat3ra/esse/models/materials_category_components/entities/auxiliary/one_dimensional/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.py,sha256=03j_Oi4mKrTx5k5xu-XE3HSt9GOBh0g5cJ-OX0sDcV4,14508
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mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.py,sha256=8fg-uAnNQZUWS2ohE0cKstoJ2mbN34jm1iXrI4FsEAs,14639
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mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.py,sha256=JVssz7P3ceZx5MgrXKvDauCVAmeViXmQCEUV0VrIS0w,12270
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mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py,sha256=
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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/entities/reusable/two_dimensional/slab_unit_cell.py,sha256=kO8vyBXFcXzMB-RH-Y5KKJHlIhj4-1pQ3447PDZxDMM,24464
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mat3ra/esse/models/materials_category_components/operations/core/combinations/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/materials_category_components/operations/core/combinations/enums.py,sha256=4IGswkEqNbfL-KM4jUG4Sb2GUWv9HwLu6onoPoQbB1I,292
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mat3ra/esse/models/materials_category_components/operations/core/combinations/merge.py,sha256=tSpvUjSLW3FKxS4bG9989wV9KjXa-JbPTeF0UBk27n8,551
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mat3ra/esse/models/materials_category_components/operations/core/combinations/stack.py,sha256=p3pdL7qhxTKCfosOaZMw2q4OC4MkSZhEnAh0z9XcKV0,806
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mat3ra/esse/models/materials_category_components/operations/core/combinations/stack_component.py,sha256=JMxOvdKjNolVy1JHQF75bkpKDYM4iYHB058h0JmqE5c,21523
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mat3ra/esse/models/materials_category_components/operations/core/modifications/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py,sha256=Xy5XI468xs1Vd1SLsUwBYV_EnHl6LFB0t4gaE4a5XVo,12036
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mat3ra/esse/models/software/application.py,sha256=_GYziemq6s_Cqvra7qT-ZdT_ib168hlqA7GxRS-KLk8,1359
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mat3ra/esse/models/software/executable.py,sha256=pLG2bpGO1baoOLNY1zK1AeNueSvSnJWqEVGRHejfex8,1630
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mat3ra/esse/models/software/flavor.py,sha256=jfuIS4FACisUbagX3zvdRD16TpRnQ9eui-mLVWg1nno,2333
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mat3ra/esse/models/software/template.py,sha256=t-D9dRt3FzY7p452VkzWxmr0pS9gKJ8qpyO5wcctIN4,1150
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mat3ra/esse/models/software_directory/ml/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/software_directory/ml/exabyteml.py,sha256=EZsHS_b2XShzzSP6DSW1L7v2THz6FlcN2Jj2kUYWiEA,582
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mat3ra/esse/models/software_directory/ml/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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mat3ra/esse/models/software_directory/modeling/espresso/__init__.py,sha256=buLYtcBmCwYAD0fUC05bRtfoeK2HAQsK04msdpDy6AI,808
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mat3ra/esse/models/software_directory/modeling/espresso/arguments.py,sha256=MVMYJEb_qQ8IkQjj3vuMBe2z0iF1BKxPzdGNRUyNIhg,2028
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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/jupyter_lab.py,sha256=SP5FwLVFrP4ah3u1ilvGfjhJaQSUjea187qvHiSGUi4,1734
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mat3ra/esse/models/software_directory/scripting/unit/execution.py,sha256=tSaaKxtJa0Bs7c5f0LVDtRykkQWi9kqKcvvWe_9lSDg,8084
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mat3ra/esse/models/system/_material.py,sha256=LHmGZ_o56EHi9BfVRwRpDNzDZQOYywWl_eb4vIEZzPc,522
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mat3ra/esse/models/workflow/unit/input/_inputItemScope.py,sha256=fTCCX3tnERlU7mUd24ufRor3ZEFUKyaRZ-noroZ_KF4,392
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mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py,sha256=EWese8D4VOvFbvTGxPS19Iw0RGu9uVo9r1VddFdYWnc,469
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mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
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mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
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mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
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mat3ra_esse-2025.8.
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mat3ra_esse-2025.8.8.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
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mat3ra_esse-2025.8.8.post0.dist-info/METADATA,sha256=g2aPMFVqgQY-SXeP2DZaGS2oZ5tj71rEDbFtv74B8Wc,9012
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mat3ra_esse-2025.8.8.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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mat3ra_esse-2025.8.8.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
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mat3ra_esse-2025.8.8.post0.dist-info/RECORD,,
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{mat3ra_esse-2025.8.6.post0.dist-info → mat3ra_esse-2025.8.8.post0.dist-info}/licenses/LICENSE.md
RENAMED
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