mat3ra-esse 2025.4.17.post0__py3-none-any.whl → 2025.5.13.post0__py3-none-any.whl

mat3ra/esse/models/properties_directory/structural/molecular_pattern.py

@@ -14,12 +14,12 @@ class Name(Enum):
     functional_group = "functional_group"
 
 
-class AtomicId(BaseModel):
+class ObjectWithId(BaseModel):
     isConnector: Optional[bool] = None
     """
     whether atom connects to atoms outside of functional group.
     """
-    id: Optional[int] = None
+    id: int
     """
     integer id of this entry
     """
@@ -27,7 +27,7 @@ class AtomicId(BaseModel):
 
 class FunctionalGroupPatternSchema(BaseModel):
     name: Optional[Name] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """
@@ -37,26 +37,26 @@ class FunctionalGroupPatternSchema(BaseModel):
     """
 
 
-class Name55(Enum):
+class Name62(Enum):
     ring = "ring"
 
 
 class RingPatternSchema(BaseModel):
-    name: Optional[Name55] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    name: Optional[Name62] = None
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """
     isAromatic: Optional[bool] = None
 
 
-class Name56(Enum):
+class Name63(Enum):
     special_bond = "special_bond"
 
 
 class SpecialBondPatternSchema(BaseModel):
-    name: Optional[Name56] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    name: Optional[Name63] = None
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """

mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py

@@ -14,12 +14,12 @@ class Name(Enum):
     functional_group = "functional_group"
 
 
-class AtomicId(BaseModel):
+class ObjectWithId(BaseModel):
     isConnector: Optional[bool] = None
     """
     whether atom connects to atoms outside of functional group.
     """
-    id: Optional[int] = None
+    id: int
     """
     integer id of this entry
     """
@@ -27,7 +27,7 @@ class AtomicId(BaseModel):
 
 class FunctionalGroupPatternSchema(BaseModel):
     name: Optional[Name] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """

mat3ra/esse/models/properties_directory/structural/patterns/ring.py

@@ -14,12 +14,12 @@ class Name(Enum):
     ring = "ring"
 
 
-class AtomicId(BaseModel):
+class ObjectWithId(BaseModel):
     isConnector: Optional[bool] = None
     """
     whether atom connects to atoms outside of functional group.
     """
-    id: Optional[int] = None
+    id: int
     """
     integer id of this entry
     """
@@ -27,7 +27,7 @@ class AtomicId(BaseModel):
 
 class RingPatternSchema(BaseModel):
     name: Optional[Name] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """

mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py

@@ -14,12 +14,12 @@ class Name(Enum):
     special_bond = "special_bond"
 
 
-class AtomicId(BaseModel):
+class ObjectWithId(BaseModel):
     isConnector: Optional[bool] = None
     """
     whether atom connects to atoms outside of functional group.
     """
-    id: Optional[int] = None
+    id: int
     """
     integer id of this entry
     """
@@ -27,7 +27,7 @@ class AtomicId(BaseModel):
 
 class SpecialBondPatternSchema(BaseModel):
     name: Optional[Name] = None
-    atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
+    atoms: Optional[List[ObjectWithId]] = Field(None, title="array of ids")
     """
     array of objects containing integer id each
     """

mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py

@@ -18,14 +18,14 @@ class Units(Enum):
     eV = "eV"
 
 
-class Units32(Enum):
+class Units33(Enum):
     eV = "eV"
     Ry = "Ry"
     hartree = "hartree"
 
 
 class Electronic(BaseModel):
-    units: Optional[Units32] = None
+    units: Optional[Units33] = None
     """
     units for force tolerance
     """

{mat3ra_esse-2025.4.17.post0.dist-info → mat3ra_esse-2025.5.13.post0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: mat3ra-esse
-Version: 2025.4.17.post0
+Version: 2025.5.13.post0
 Summary: Excellent Source of Schemas and Examples.
 Author-email: "Exabyte Inc." <info@mat3ra.com>
 License: # LICENSE

{mat3ra_esse-2025.4.17.post0.dist-info → mat3ra_esse-2025.5.13.post0.dist-info}/RECORD

@@ -2,12 +2,28 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
 mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
 mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-mat3ra/esse/data/examples.py,sha256=cjPn5WBCnPu1bJl1UYwa32_9S5RAOeHXXWz2sipszb8,46320
+mat3ra/esse/data/examples.py,sha256=F3zA1HDTRS-UeCrJfOqws4Rn4pxUpFUz8oB6iEL4YIU,48407
 mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
-mat3ra/esse/data/schemas.py,sha256=AQzSuufUkGTyT_qivm7l_7LKJ54IVitSr_NYlG8Fmdk,1572762
+mat3ra/esse/data/schemas.py,sha256=8W5IEjOODsqZ9XgvrjCi0gev2Bk8EVkOxzx0KaGZKLU,1605255
 mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
-mat3ra/esse/models/element.py,sha256=y5PJLUMqaRSIAxkqLK42kQNudVsGKV20qTPqO0JaVx8,1331
+mat3ra/esse/models/element.py,sha256=Huew2YZoEc9VNXfamRami9hB-9ZJ8M0YDVV8l1vxjsY,1331
 mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
+mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/atoms.py,sha256=KJoqkT9hV3J_xJmaHCLx7bAEBxvGxz0_ZC76b9Auu2k,1451
+mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/db_entry.py,sha256=U1u7lcPwZCymrEfiOrkjT0nbvDDaiz83LiVUGKtx18s,1909
+mat3ra/esse/models/apse/file/applications/espresso/7.2/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py,sha256=k5g-qfBm6wQDseJlnBjhd-zhxGXj851ttxbdCRQfBhE,74719
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=mnHklX-WdQl7yHBykTvnpid3zOzOVv6fr9kLCIhK85c,1271
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_species.py,sha256=DEYl0xPnsY2XIyRIJhvny8BmaKLASkdBbIN1Xc-o--c,1180
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/cell.py,sha256=Yl1_JdB611VnGKGsBkt_hgywZnUJCHHZGkSszVnHTIc,3342
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/cell_parameters.py,sha256=0l3C13vTWj2AMLXLezOYEsd4nuc7z0C5ilFr24IsVRg,1241
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/control.py,sha256=sw_Y6W3y7ftsgzkoxr_o-pofGUli1e1XXbG4wRMpnCM,8786
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/electrons.py,sha256=6FOIkBiUw0BvD6TV7HTiejTbIamEsbLN6uMXZIynrFE,4849
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/hubbard.py,sha256=e8stZcGVwnw7SO2ZNW5w09RAgHjwZxUAqBdGHk8achs,4541
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/ions.py,sha256=CH5m46RhLybNzUCwZDKMPxO8S7flgigMeHOjYgt7xNI,15280
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/k_points.py,sha256=N2fxAVS3Bt-bwIpslNqyrQb2f3mCXY_S6Uc4heCz19E,1602
+mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/system.py,sha256=k1G0aNawyd6Y1gPWeH4tFZxpd5wNXwpQiwMQMHUEI5k,34350
 mat3ra/esse/models/core/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
 mat3ra/esse/models/core/abstract/2d_plot.py,sha256=q2qJuDQ10UtiJvZcGzWWv9T9qHJ8HwP-kING3w6cUWM,812
@@ -20,8 +36,14 @@ mat3ra/esse/models/core/abstract/_3d_grid.py,sha256=qJ6z7YI504zEWp81dOoYdBVBZDPF
 mat3ra/esse/models/core/abstract/_3d_tensor.py,sha256=LS2yGo4DWMPp4As2jC3oeVO4RsueFAryaHTTL_lDWuI,563
 mat3ra/esse/models/core/abstract/_3d_vector_basis.py,sha256=ub2Gt2HJEQKIlmRv6XiK0-hQJ0lpo3RtT6yn_1vF1N8,564
 mat3ra/esse/models/core/abstract/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/core/abstract/coordinate_2d.py,sha256=VY2G33pQx_QYF-njFFk3Yhg_emT0datwlcqg9KppCYk,349
+mat3ra/esse/models/core/abstract/coordinate_3d.py,sha256=9FF3YH5uQQCKH2ta4hklogqj9Zw8qWK7sR5fJPjABhg,349
+mat3ra/esse/models/core/abstract/kpoint.py,sha256=qs_3FgLXwkaCW3XyCATTcGoeB2DWAQzVMnhPt04Nvhw,404
+mat3ra/esse/models/core/abstract/matrix_3x3.py,sha256=7Ob8lg7Uq33R0dVO7XYgp4AvDyffg8UeeCW8qXzdqOQ,526
 mat3ra/esse/models/core/abstract/point.py,sha256=NNKy1gnTZ8W-7y6-kckKHBHc1gwXvn5g5JSXQJ6yYlM,326
 mat3ra/esse/models/core/abstract/vector.py,sha256=B_jR0gFbWoC5ZUgUfUI8YZpFaqplZ0yj9jGt99yLhJg,338
+mat3ra/esse/models/core/abstract/vector_3d.py,sha256=gty27LKhdm35AR6PjWvO8Ccq5p4eqe25At-h7-OAteI,337
+mat3ra/esse/models/core/abstract/vector_boolean_3d.py,sha256=GbByG75y034HscvSsE9tIo178Mri-ZeNFOMfZbXKjZ0,313
 mat3ra/esse/models/core/primitive/1d_data_series.py,sha256=OvoNT1ByJxgB2bjYXnjLSOKD8Eh8FJXcYr3BrvwqT5A,389
 mat3ra/esse/models/core/primitive/3d_lattice.py,sha256=3X4l2NdAWcFpMXnqS22ORjf_Ww0BmphnB3wOv13S6G8,673
 mat3ra/esse/models/core/primitive/_1d_data_series.py,sha256=axKdgsXgeF95sKcBtWKS5EUJIx82uI6kN0YNMbU_pYY,389
@@ -29,12 +51,14 @@ mat3ra/esse/models/core/primitive/_3d_lattice.py,sha256=B1V-vJnQ0_l4vvijdYBAiAzg
 mat3ra/esse/models/core/primitive/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/core/primitive/array_of_3_booleans.py,sha256=06YLYsvCD7BP5fNee8e07YKrNZVNsfh9RpvBMj-k7-A,379
 mat3ra/esse/models/core/primitive/array_of_3_numbers.py,sha256=VjCYsMasQYN1agkBJelaVsBY3NK-fyuS0OobMGHjoNY,378
-mat3ra/esse/models/core/primitive/array_of_ids.py,sha256=5XWt0x0d2EA3XVcl6lzf3oqGLIIWt92uDv4ICaB6GmY,496
+mat3ra/esse/models/core/primitive/array_of_ids.py,sha256=JMTCZGq743-t61SNqFqPNX26yZNZ5I9APKoZ23_1z6w,484
 mat3ra/esse/models/core/primitive/array_of_strings.py,sha256=j8hck6B4rcpNc801v5shjFiwtWVXMX1e_kFr7WNfMpo,370
 mat3ra/esse/models/core/primitive/axis.py,sha256=lC968R-jutI-HTLO40G4YoN9dMWJ9hzpnZPs89dlJdc,353
 mat3ra/esse/models/core/primitive/group_info.py,sha256=mhjFVVTseLogwggxg7GVDUZ1NZU-SLc1kcBUwrFz4g0,448
 mat3ra/esse/models/core/primitive/integer_one_or_zero.py,sha256=xxNWl0Pr8_onwgKuiI4ic8Oo9FfTojyb1bLWj0-tg-0,322
 mat3ra/esse/models/core/primitive/integer_positive_single_digit.py,sha256=-Oou7xrBTog5PVxfBfwET9NuQd0n5SkL_xT6coS6CKQ,352
+mat3ra/esse/models/core/primitive/object_with_id.py,sha256=pKT_und1i4EyzP3zMAiY17yl6adbxfUVNxFnHdVNJec,264
+mat3ra/esse/models/core/primitive/object_with_id_and_value.py,sha256=tjeZdCdKpWFs5puvgYSNe3RRYjpmmYLKb2YqoXFj5II,367
 mat3ra/esse/models/core/primitive/scalar.py,sha256=JPGOIgm5pwnL3fFkcizuwaOodYj0j5HajBPC5OHasr0,216
 mat3ra/esse/models/core/primitive/slugified_entry.py,sha256=TlbKL52_RiIdPXYkQ1tPvUs2Y_F6btca-kjSEKYJuYo,347
 mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py,sha256=CzYRSAVCYcXSw_-5W8aAODdr3gcENv7H4ZQn1P3o6-w,624
@@ -59,14 +83,16 @@ mat3ra/esse/models/core/reusable/accuracy_level.py,sha256=7p3TQIjCfdbdpmvCbNadyO
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=D-Ax_gaa_HALKc2wMoVbRt2aA7Y_nbdVh_XwZfmyPGM,661
 mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py,sha256=ZruAxrJnI54uFKZNKVAjOpSfhilRgcRC1VbsORgFtRE,1050
 mat3ra/esse/models/core/reusable/atomic_orbital.py,sha256=YtV1ywMQuSeZsFF068PUxFSaa7qt6Y0yrXBrFjEgTpw,597
-mat3ra/esse/models/core/reusable/atomic_scalars.py,sha256=YV4fVqEHtSvacyTyNGMtzw2NtNZdh40qtk2iV8i4wdc,720
+mat3ra/esse/models/core/reusable/atomic_scalars.py,sha256=mqHoU1M4JPAFbJzEisr9hTso1i2EtGyzXdY1Zjp7xDo,649
+mat3ra/esse/models/core/reusable/atomic_string.py,sha256=HGERo3jqAURe_kWKQS4_fk8FqqEDXWAWMfKid_k_tK0,323
 mat3ra/esse/models/core/reusable/atomic_strings.py,sha256=wvZwjAKPTfhD1RZk59G6t1-yQZZNpoKWxVca63QAeFo,631
-mat3ra/esse/models/core/reusable/atomic_vectors.py,sha256=ndjc960C2HN4BF-8d8lkxwMLYtn0ONQT1bSvEHSQacg,659
-mat3ra/esse/models/core/reusable/band_gap.py,sha256=T71JZ-2_etTZSBmluEWIge1nGpJDsV1UV37gf8nL2E4,1016
+mat3ra/esse/models/core/reusable/atomic_vector.py,sha256=_XJEynxYb3CobXK3FX7tacIYBbVM2wdD6PsMPcBhd9M,430
+mat3ra/esse/models/core/reusable/atomic_vectors.py,sha256=AbeH2EwEG07Pzah_ZTdo9k0HPtZW9wfB-ztybUG1zg4,587
+mat3ra/esse/models/core/reusable/band_gap.py,sha256=_L79BKX80sAH7ZuyxFSdomJLS2dq4iQJR4lNxe8xBEs,1168
 mat3ra/esse/models/core/reusable/categories.py,sha256=Z90c6gdSMUdEYwoThEyusMXb5ufqoQh-tISYafPWwME,1350
 mat3ra/esse/models/core/reusable/category_path.py,sha256=SFyMHOXwrIewKkr4lCZRfSO-oszEx29XEK6TuLJrBtQ,359
 mat3ra/esse/models/core/reusable/dielectric_tensor_component.py,sha256=_rr6oeTSxUp9iIwaDNt84oeu32_EMXB2vb-MeuxosjY,623
-mat3ra/esse/models/core/reusable/energy.py,sha256=OYipG7zedXIaP4ahCKxo4ZnUQONYm7rqA1uu5oSEp9k,512
+mat3ra/esse/models/core/reusable/energy.py,sha256=Zs5Qxv64yae9Xkhh4YTlpfK8MeuVZefsOMVjvGmeNVM,512
 mat3ra/esse/models/core/reusable/energy_accuracy_levels.py,sha256=ndCRZOzYZZ-Ok-mjANEKtvOuMSQvE2WzCXqXvrJrNtA,655
 mat3ra/esse/models/core/reusable/file_metadata.py,sha256=DyPL1zQJR3HTyOGgvQzE7BxasTCkVRffeG_4WKfxf-8,520
 mat3ra/esse/models/core/reusable/frequency_function_matrix.py,sha256=I4B-ukMJ_aGpP_PHDd63bW8Jav1mreGeMiLqtrElIno,429
@@ -77,6 +103,7 @@ mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py,sha256=pd3oG1FfLevoA
 mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py,sha256=gLJkxLpRfNAixmVV1LCz-UHp-C55iq7SM7QJQnFSLWM,919
 mat3ra/esse/models/core/reusable/atomic_data/value_number.py,sha256=nEF8VBqob3JNGFogaJsaHWOchl_lGyh9MHDbFLF4h78,376
 mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7Qbw5dpUt79oaojZsJVlbZvPfp-3JH7U,348
+mat3ra/esse/models/core/reusable/energy_accuracy_levels/__init__.py,sha256=A62Az-FUlQtAtprjSTr4WDHA1Xgan5YN8H9u_8yLEq4,78
 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
 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
 mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
@@ -93,9 +120,22 @@ mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=g7
 mat3ra/esse/models/job/__init__.py,sha256=tQXT9GQRHDoVyW9AmI_Sjkqg78fkKSb4tL6TmWn--m4,64815
 mat3ra/esse/models/job/base.py,sha256=QZzYedxsoGbqQvIgLhBsCQDWvTlTgXM64-Jcy-Z4umc,8088
 mat3ra/esse/models/job/compute.py,sha256=strKlGY8VnnnFij3KxxZr2Hozf2_zhujhTb4cQxP5KU,5501
-mat3ra/esse/models/material/__init__.py,sha256=_bu9a8vzEb2o7dfKYg59dnr3kOhFx1bTe6ATiZro1XI,9378
+mat3ra/esse/models/material/__init__.py,sha256=7CnepGoWJH7ENKsgm6y0Hplxajbpv2QravDZOEBXYvk,9940
 mat3ra/esse/models/material/consistency_check.py,sha256=6fF96LF_xOwT4k47Ez3ADx3-yVnREgwY95N5aA12o0c,934
 mat3ra/esse/models/material/conventional.py,sha256=y6PGJsMs4ktea-q9LGZnRIYscFjfWjdZFmeyehAJdBE,303
+mat3ra/esse/models/material/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/material/reusable/repetitions.py,sha256=CpJjyQLz0MoQsp5fiLSCNDE1NfajQYTRjUJTzLb9YHc,754
+mat3ra/esse/models/material/reusable/supercell_matrix_2d.py,sha256=Ul--ruw2s6JRVwu4y6M-YKSZBmZb6uI-pfC-Ua0ZWus,722
+mat3ra/esse/models/material/reusable/supercell_matrix_3d.py,sha256=tqKLcZyV3zaSq2I4dZR6mVB-EMoykMvOh-lBaKh_cZc,784
+mat3ra/esse/models/material/reusable/slab/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
+mat3ra/esse/models/material/reusable/slab/enums.py,sha256=ahZsneu0LQal4eYK3wo1YbFZKogytxYYMm0DEh8e4KQ,252
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 mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=oAFMywLm2byFzGwmW1Qf7w6eh2hnZykNbZbYNzUJfPI,2819
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-mat3ra/esse/models/properties_directory/structural/patterns/ring.py,sha256=4MSCQ_f-fOyJbV0uyZU93eeTaL0By5NUjPW1F-m79mE,756
-mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py,sha256=le9K4iGzvad0R_A9V_79xGDwg-kdJsP9nFvl8_TJSXU,749
+mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py,sha256=MkdEdVePRoURQmIKY34FSETHZ1XxwjanHdv3VDpYpFI,919
+mat3ra/esse/models/properties_directory/structural/patterns/ring.py,sha256=vZ7tsonZikbbOTD_Tbyl43V_-St40amxJq1pS2ybH6g,749
+mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py,sha256=KnVmYAti3CfLIds1wVM8qW_cN75VGGdWQ7Ew3VFPpSE,742
 mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py,sha256=MuMgO1Gq1285cvnjASCcFsHOD2ArcSjrV2OOWISF-M4,558
-mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=GbxscbZIO10ZL9a9MHPplpXquehszYTbb4_Aoum6YqM,1306
+mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=q4xQSEceNkGIe1RFUY2u3_lffn2v_X7ZcOaUW5v1KRk,1306
 mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py,sha256=zQi62_9dhbhFfN-iaqvzftnuYWG8-iVKmVYIDID0v8w,915
 mat3ra/esse/models/property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
 mat3ra/esse/models/property/base.py,sha256=mb5Q1XgYt7WrFhUir0O99ufQNzhiJog0yfoqECokquA,5003
@@ -475,8 +527,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
 mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
 mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
 mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
-mat3ra_esse-2025.4.17.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
-mat3ra_esse-2025.4.17.post0.dist-info/METADATA,sha256=mqoV4HJPVh64e166GfZfqaP6JZZ7Na8jF0YU6j35do0,9000
-mat3ra_esse-2025.4.17.post0.dist-info/WHEEL,sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0,91
-mat3ra_esse-2025.4.17.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
-mat3ra_esse-2025.4.17.post0.dist-info/RECORD,,
+mat3ra_esse-2025.5.13.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
+mat3ra_esse-2025.5.13.post0.dist-info/METADATA,sha256=WV1OaGpBmyAiLxP7dvlilPLoVcbJZqc494qJbB4-riM,9000
+mat3ra_esse-2025.5.13.post0.dist-info/WHEEL,sha256=DnLRTWE75wApRYVsjgc6wsVswC54sMSJhAEd4xhDpBk,91
+mat3ra_esse-2025.5.13.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
+mat3ra_esse-2025.5.13.post0.dist-info/RECORD,,

{mat3ra_esse-2025.4.17.post0.dist-info → mat3ra_esse-2025.5.13.post0.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (78.1.0)
+Generator: setuptools (80.4.0)
 Root-Is-Purelib: true
 Tag: py3-none-any