CodeEntropy 2.4.1__py3-none-any.whl → 2.4.3__py3-none-any.whl

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Files changed (6) hide show
  1. CodeEntropy/__init__.py +1 -1
  2. {codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/METADATA +5 -3
  3. {codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/RECORD +6 -6
  4. {codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/WHEEL +0 -0
  5. {codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/entry_points.txt +0 -0
  6. {codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/licenses/LICENSE +0 -0
CodeEntropy/__init__.py CHANGED
@@ -8,4 +8,4 @@ entropy estimates, supporting a wide range of applications in molecular simulati
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  and statistical mechanics.
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  """
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- __version__ = "2.4.1"
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+ __version__ = "2.4.3"
{codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.5
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  Name: CodeEntropy
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- Version: 2.4.1
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+ Version: 2.4.3
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  Summary: CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics.
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  Keywords: entropy,macromolecular systems,MD simulation
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  Author-email: Arghya 'Argo' Chakravorty <arghyac@umich.edu>, Donald Chung-HK <donald.chung@stfc.ac.uk>, Sarah Fegan <sarah.fegan@stfc.ac.uk>, James Gebbie-Rayet <james.gebbie@stfc.ac.uk>, Sarah Harris <sarah.harris@sheffield.ac.uk>, Richard Henchman <rhen7213@uni.sydney.edu.au>, Jonathan Higham <j.higham4@lancaster.ac.uk>, Jas Kalayan <jas.kalayan@stfc.ac.uk>, Ioana Papa <iapapa1@sheffield.ac.uk>
@@ -29,8 +29,10 @@ Requires-Dist: matplotlib>=3.11,<3.12
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  Requires-Dist: waterEntropy>=2,<2.3
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  Requires-Dist: requests>=2.32,<3.0
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  Requires-Dist: rdkit>=2025.9.5
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- Requires-Dist: numba>=0.65.0,<0.70
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- Requires-Dist: dask-jobqueue>=0.9.0, <0.10
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+ Requires-Dist: numba>=0.65.1,<0.70
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+ Requires-Dist: dask>=2026.1.2,<2026.2.0
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+ Requires-Dist: dask-jobqueue>=0.9.0,<0.10
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+ Requires-Dist: distributed>=2026.1.2,<2026.2.0
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  Requires-Dist: sphinx>=9.1,<9.2 ; extra == "docs"
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  Requires-Dist: nbsphinx>=0.9,<1.0 ; extra == "docs"
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  Requires-Dist: sphinx_rtd_theme>=3,<3.2 ; extra == "docs"
{codeentropy-2.4.1.dist-info → codeentropy-2.4.3.dist-info}/RECORD RENAMED
@@ -1,4 +1,4 @@
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- CodeEntropy/__init__.py,sha256=8puOcFWsWfTb7sI2KaqxNlWXHfuZIMrQBihf1qbsQAE,404
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+ CodeEntropy/__init__.py,sha256=YQbehIDwncRue48kSLjP2_K10IGKY4dbbhrzfR9UZ8M,404
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  CodeEntropy/__main__.py,sha256=5i_ZrxQaq0q2aPllbB4SZ6BApV6oUFCgx0cGyjfMPrU,108
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  CodeEntropy/cli.py,sha256=xgSgagCV6HQ3CoXUpG7p7Ef5hCExgxp7orz6dZZWA6c,960
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  CodeEntropy/config/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -58,8 +58,8 @@ CodeEntropy/trajectory/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3
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  CodeEntropy/trajectory/frames.py,sha256=MSx_swzFjo4TgkZTR1y6W-1zuKNPg_C36I_uFqvOKpk,4354
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  CodeEntropy/trajectory/mda.py,sha256=cWqgSgamdPnL4n3aWEKUgycjtzjpdgRgMVX6G5fln94,15803
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  CodeEntropy/trajectory/source.py,sha256=NfYsdm1amr29h2tmJP-RKyCp3phb1SOAtAELJmGm740,1475
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- codeentropy-2.4.1.dist-info/entry_points.txt,sha256=8Oa3H9ErsrGtx5Hc6hIHOw73wK3Ylkvfgtl_4cBb_GU,52
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- codeentropy-2.4.1.dist-info/licenses/LICENSE,sha256=hgMaAAVW1Q6dL586OHoz8vFO-6BYn-d2aAFBpVQylFc,1072
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- codeentropy-2.4.1.dist-info/WHEEL,sha256=_yMHPaBV-s6fQMwUoo83NSdTCM3c8xXWFXRhqafN-7Y,81
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- codeentropy-2.4.1.dist-info/METADATA,sha256=Y3Cxq1oJet2Pq6A5xYm6tYu4R5-RI5quJh-IIR8I4r4,6507
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- codeentropy-2.4.1.dist-info/RECORD,,
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+ codeentropy-2.4.3.dist-info/entry_points.txt,sha256=8Oa3H9ErsrGtx5Hc6hIHOw73wK3Ylkvfgtl_4cBb_GU,52
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+ codeentropy-2.4.3.dist-info/licenses/LICENSE,sha256=hgMaAAVW1Q6dL586OHoz8vFO-6BYn-d2aAFBpVQylFc,1072
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+ codeentropy-2.4.3.dist-info/WHEEL,sha256=_yMHPaBV-s6fQMwUoo83NSdTCM3c8xXWFXRhqafN-7Y,81
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+ codeentropy-2.4.3.dist-info/METADATA,sha256=kZG1TxE_QkYCWS_xExG8KjSE4CkHgAZ_dJ_CDCfkQTo,6593
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+ codeentropy-2.4.3.dist-info/RECORD,,