GraphAtoms 1.1.1__tar.gz → 1.1.2__tar.gz

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Files changed (61) hide show
  1. {graphatoms-1.1.1 → graphatoms-1.1.2}/PKG-INFO +1 -1
  2. {graphatoms-1.1.1 → graphatoms-1.1.2}/pyproject.toml +1 -3
  3. {graphatoms-1.1.1 → graphatoms-1.1.2}/README.md +0 -0
  4. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/LICENSE +0 -0
  5. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/__init__.py +0 -0
  6. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/dataclasses/__init__.py +0 -0
  7. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/dataclasses/_numpydantic.py +0 -0
  8. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/dataclasses/_pydantic2pyarrow.py +0 -0
  9. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/dataclasses/_pydanticMixin.py +0 -0
  10. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/dataclasses/_pydanticModel.py +0 -0
  11. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/__init__.py +0 -0
  12. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/_bond_list.py +0 -0
  13. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/_distance_pairs.py +0 -0
  14. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/_inner_outer.py +0 -0
  15. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/_neighbor_list.py +0 -0
  16. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/rotation.py +0 -0
  17. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/geometry/sample.py +0 -0
  18. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/__init__.py +0 -0
  19. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_abc/__init__.py +0 -0
  20. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_abc/move.py +0 -0
  21. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_abc/rtgp.py +0 -0
  22. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_kmcevent/__init__.py +0 -0
  23. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_kmcevent/_event.py +0 -0
  24. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_kmcevent/adsorption.py +0 -0
  25. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_kmcevent/desorption.py +0 -0
  26. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_kmcevent/reaction.py +0 -0
  27. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/__init__.py +0 -0
  28. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_abc.py +0 -0
  29. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_base.py +0 -0
  30. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_moveFB.py +0 -0
  31. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_moveSP.py +0 -0
  32. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_moveSwap.py +0 -0
  33. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/_simNVT.py +0 -0
  34. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/test_mmc.py +0 -0
  35. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/test_move.py +0 -0
  36. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mcmove/zzz.py +0 -0
  37. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_mdwarpper/__init__.py +0 -0
  38. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_network/__init__.py +0 -0
  39. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/reaction/_network/_base.py +0 -0
  40. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/__init__.py +0 -0
  41. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_atoms/__init__.py +0 -0
  42. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_atoms/_box.py +0 -0
  43. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_atoms/_eng.py +0 -0
  44. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_atoms/_struct.py +0 -0
  45. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_database/__init__.py +0 -0
  46. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_database/base.py +0 -0
  47. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_database/hdf5.py +0 -0
  48. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_database/sqliteASE.py +0 -0
  49. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_graph/__init__.py +0 -0
  50. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_graph/_bonds.py +0 -0
  51. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_graph/_gasMixin.py +0 -0
  52. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_graph/_sysGraph.py +0 -0
  53. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_sys/__init__.py +0 -0
  54. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_sys/_sysCluster.py +0 -0
  55. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/_sys/_sysGas.py +0 -0
  56. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/system/helper.py +0 -0
  57. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/utils/__init__.py +0 -0
  58. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/utils/bytestool.py +0 -0
  59. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/utils/logger.py +0 -0
  60. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/utils/parser.py +0 -0
  61. {graphatoms-1.1.1 → graphatoms-1.1.2}/src/graphatoms/utils/rdutils.py +0 -0
{graphatoms-1.1.1 → graphatoms-1.1.2}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: graphatoms
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- Version: 1.1.1
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+ Version: 1.1.2
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  Summary: The Chemical Core Class for Graph Theory Analysis.
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  Keywords: chemistry,graph theory,reaction,event,KMC
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  Author: LiuGaoyong
{graphatoms-1.1.1 → graphatoms-1.1.2}/pyproject.toml RENAMED
@@ -9,7 +9,7 @@ Issues = "https://github.com/LiuGaoyong/GraphAtoms/issues/"
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  [project]
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  name = "graphatoms"
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- version = "1.1.1"
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+ version = "1.1.2"
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  readme = "README.md"
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  description = "The Chemical Core Class for Graph Theory Analysis."
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  authors = [{ name = "LiuGaoyong", email = "liugaoyong_88@163.com" }]
@@ -99,8 +99,6 @@ ignore = ["F722", "D100"]
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  convention = "google"
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  [tool.pixi.package]
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- name = 'graphatoms'
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- version = '1.1.0'
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  [tool.pixi.package.build]
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  backend = { name = "pixi-build-python", version = "*" }
{graphatoms-1.1.1 → graphatoms-1.1.2}/README.md RENAMED
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{graphatoms-1.1.1 → graphatoms-1.1.2}/src/LICENSE RENAMED
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