westpa 2022.7__tar.gz → 2022.8__tar.gz

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Files changed (173) hide show
  1. {westpa-2022.7/src/westpa.egg-info → westpa-2022.8}/PKG-INFO +2 -1
  2. {westpa-2022.7 → westpa-2022.8}/setup.py +1 -0
  3. {westpa-2022.7 → westpa-2022.8}/src/westpa/_version.py +3 -3
  4. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/_assign.c +123 -123
  5. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/_kinetics.c +123 -123
  6. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/propagators/executable.py +23 -14
  7. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/reweight/_reweight.c +135 -135
  8. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/states.py +13 -0
  9. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/trajectory.py +1 -0
  10. {westpa-2022.7 → westpa-2022.8}/src/westpa/fasthist/_fasthist.c +123 -123
  11. {westpa-2022.7 → westpa-2022.8}/src/westpa/mclib/_mclib.c +123 -123
  12. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/data_reader.py +1 -1
  13. {westpa-2022.7 → westpa-2022.8}/src/westpa/trajtree/_trajtree.c +123 -123
  14. {westpa-2022.7 → westpa-2022.8/src/westpa.egg-info}/PKG-INFO +2 -1
  15. {westpa-2022.7 → westpa-2022.8}/tests/test_states.py +29 -1
  16. {westpa-2022.7 → westpa-2022.8}/AUTHORS +0 -0
  17. {westpa-2022.7 → westpa-2022.8}/LICENSE +0 -0
  18. {westpa-2022.7 → westpa-2022.8}/MANIFEST.in +0 -0
  19. {westpa-2022.7 → westpa-2022.8}/README.rst +0 -0
  20. {westpa-2022.7 → westpa-2022.8}/pyproject.toml +0 -0
  21. {westpa-2022.7 → westpa-2022.8}/setup.cfg +0 -0
  22. {westpa-2022.7 → westpa-2022.8}/src/westpa/__init__.py +0 -0
  23. {westpa-2022.7 → westpa-2022.8}/src/westpa/analysis/__init__.py +0 -0
  24. {westpa-2022.7 → westpa-2022.8}/src/westpa/analysis/core.py +0 -0
  25. {westpa-2022.7 → westpa-2022.8}/src/westpa/analysis/statistics.py +0 -0
  26. {westpa-2022.7 → westpa-2022.8}/src/westpa/analysis/trajectories.py +0 -0
  27. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/__init__.py +0 -0
  28. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/__init__.py +0 -0
  29. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_fork.py +0 -0
  30. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_init.py +0 -0
  31. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_run.py +0 -0
  32. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_states.py +0 -0
  33. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_succ.py +0 -0
  34. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/core/w_truncate.py +0 -0
  35. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/__init__.py +0 -0
  36. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/ploterr.py +0 -0
  37. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/plothist.py +0 -0
  38. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_assign.py +0 -0
  39. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_bins.py +0 -0
  40. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_crawl.py +0 -0
  41. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_direct.py +0 -0
  42. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_dumpsegs.py +0 -0
  43. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_eddist.py +0 -0
  44. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_fluxanl.py +0 -0
  45. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_ipa.py +0 -0
  46. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_kinavg.py +0 -0
  47. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_kinetics.py +0 -0
  48. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_multi_west.py +0 -0
  49. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_ntop.py +0 -0
  50. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_pdist.py +0 -0
  51. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_postanalysis_matrix.py +0 -0
  52. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_postanalysis_reweight.py +0 -0
  53. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_red.py +0 -0
  54. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_reweight.py +0 -0
  55. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_select.py +0 -0
  56. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_stateprobs.py +0 -0
  57. {westpa-2022.7 → westpa-2022.8}/src/westpa/cli/tools/w_trace.py +0 -0
  58. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/__init__.py +0 -0
  59. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/_rc.py +0 -0
  60. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/__init__.py +0 -0
  61. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/_assign.pyx +0 -0
  62. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/assign.py +0 -0
  63. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/binless.py +0 -0
  64. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/binless_driver.py +0 -0
  65. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/binless_manager.py +0 -0
  66. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/bins.py +0 -0
  67. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/mab.py +0 -0
  68. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/mab_driver.py +0 -0
  69. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/binning/mab_manager.py +0 -0
  70. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/data_manager.py +0 -0
  71. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/extloader.py +0 -0
  72. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/h5io.py +0 -0
  73. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/__init__.py +0 -0
  74. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/_kinetics.pyx +0 -0
  75. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/events.py +0 -0
  76. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/matrates.py +0 -0
  77. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/kinetics/rate_averaging.py +0 -0
  78. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/progress.py +0 -0
  79. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/propagators/__init__.py +0 -0
  80. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/reweight/__init__.py +0 -0
  81. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/reweight/_reweight.pyx +0 -0
  82. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/reweight/matrix.py +0 -0
  83. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/segment.py +0 -0
  84. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/sim_manager.py +0 -0
  85. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/systems.py +0 -0
  86. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/textio.py +0 -0
  87. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/we_driver.py +0 -0
  88. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/wm_ops.py +0 -0
  89. {westpa-2022.7 → westpa-2022.8}/src/westpa/core/yamlcfg.py +0 -0
  90. {westpa-2022.7 → westpa-2022.8}/src/westpa/fasthist/__init__.py +0 -0
  91. {westpa-2022.7 → westpa-2022.8}/src/westpa/fasthist/__main__.py +0 -0
  92. {westpa-2022.7 → westpa-2022.8}/src/westpa/fasthist/_fasthist.pyx +0 -0
  93. {westpa-2022.7 → westpa-2022.8}/src/westpa/mclib/__init__.py +0 -0
  94. {westpa-2022.7 → westpa-2022.8}/src/westpa/mclib/__main__.py +0 -0
  95. {westpa-2022.7 → westpa-2022.8}/src/westpa/mclib/_mclib.pyx +0 -0
  96. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/__init__.py +0 -0
  97. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/__init__.py +0 -0
  98. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/atool.py +0 -0
  99. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/base_mixin.py +0 -0
  100. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/binning.py +0 -0
  101. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/iter_range.py +0 -0
  102. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/kinetics.py +0 -0
  103. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/mcbs.py +0 -0
  104. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/output.py +0 -0
  105. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/plotting.py +0 -0
  106. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/trajwalker.py +0 -0
  107. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/aframe/transitions.py +0 -0
  108. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/cmds/__init__.py +0 -0
  109. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/cmds/w_ttimes.py +0 -0
  110. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/files.py +0 -0
  111. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/miscfn.py +0 -0
  112. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/stats/__init__.py +0 -0
  113. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/stats/accumulator.py +0 -0
  114. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/stats/edfs.py +0 -0
  115. {westpa-2022.7 → westpa-2022.8}/src/westpa/oldtools/stats/mcbs.py +0 -0
  116. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/__init__.py +0 -0
  117. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/binning.py +0 -0
  118. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/core.py +0 -0
  119. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/data_reader.py +0 -0
  120. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/dtypes.py +0 -0
  121. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/iter_range.py +0 -0
  122. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/kinetics_tool.py +0 -0
  123. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/plot.py +0 -0
  124. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/progress.py +0 -0
  125. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/selected_segs.py +0 -0
  126. {westpa-2022.7 → westpa-2022.8}/src/westpa/tools/wipi.py +0 -0
  127. {westpa-2022.7 → westpa-2022.8}/src/westpa/trajtree/__init__.py +0 -0
  128. {westpa-2022.7 → westpa-2022.8}/src/westpa/trajtree/_trajtree.pyx +0 -0
  129. {westpa-2022.7 → westpa-2022.8}/src/westpa/trajtree/trajtree.py +0 -0
  130. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/__init__.py +0 -0
  131. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/adaptvoronoi/__init__.py +0 -0
  132. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/adaptvoronoi/adaptVor_driver.py +0 -0
  133. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/hamsm_restarting/__init__.py +0 -0
  134. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/hamsm_restarting/example_overrides.py +0 -0
  135. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/hamsm_restarting/restart_driver.py +0 -0
  136. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/stringmethod/__init__.py +0 -0
  137. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/stringmethod/fourier_fitting.py +0 -0
  138. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/stringmethod/string_driver.py +0 -0
  139. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/stringmethod/string_method.py +0 -0
  140. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/weed/BinCluster.py +0 -0
  141. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/weed/ProbAdjustEquil.py +0 -0
  142. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/weed/UncertMath.py +0 -0
  143. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/weed/__init__.py +0 -0
  144. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/weed/weed_driver.py +0 -0
  145. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/wess/ProbAdjust.py +0 -0
  146. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/wess/__init__.py +0 -0
  147. {westpa-2022.7 → westpa-2022.8}/src/westpa/westext/wess/wess_driver.py +0 -0
  148. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/__init__.py +0 -0
  149. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/core.py +0 -0
  150. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/environment.py +0 -0
  151. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/mpi.py +0 -0
  152. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/processes.py +0 -0
  153. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/serial.py +0 -0
  154. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/threads.py +0 -0
  155. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/zeromq/__init__.py +0 -0
  156. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/zeromq/core.py +0 -0
  157. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/zeromq/node.py +0 -0
  158. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/zeromq/work_manager.py +0 -0
  159. {westpa-2022.7 → westpa-2022.8}/src/westpa/work_managers/zeromq/worker.py +0 -0
  160. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/SOURCES.txt +0 -0
  161. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/dependency_links.txt +0 -0
  162. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/entry_points.txt +0 -0
  163. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/not-zip-safe +0 -0
  164. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/requires.txt +0 -0
  165. {westpa-2022.7 → westpa-2022.8}/src/westpa.egg-info/top_level.txt +0 -0
  166. {westpa-2022.7 → westpa-2022.8}/tests/test_binning.py +0 -0
  167. {westpa-2022.7 → westpa-2022.8}/tests/test_data_manager.py +0 -0
  168. {westpa-2022.7 → westpa-2022.8}/tests/test_kinetics.py +0 -0
  169. {westpa-2022.7 → westpa-2022.8}/tests/test_loaders.py +0 -0
  170. {westpa-2022.7 → westpa-2022.8}/tests/test_sim_manager.py +0 -0
  171. {westpa-2022.7 → westpa-2022.8}/tests/test_we_driver.py +0 -0
  172. {westpa-2022.7 → westpa-2022.8}/tests/test_yamlfe.py +0 -0
  173. {westpa-2022.7 → westpa-2022.8}/versioneer.py +0 -0
{westpa-2022.7/src/westpa.egg-info → westpa-2022.8}/PKG-INFO RENAMED
@@ -1,6 +1,7 @@
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  Metadata-Version: 2.1
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  Name: westpa
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- Version: 2022.7
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+ Version: 2022.8
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+ Summary: WESTPA is a package for constructing and running stochastic simulations using the "weighted ensemble" approach of Huber and Kim (1996).
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  Home-page: http://github.com/westpa/westpa
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  License: MIT
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  Classifier: Development Status :: 5 - Production/Stable
{westpa-2022.7 → westpa-2022.8}/setup.py RENAMED
@@ -148,6 +148,7 @@ metadata = dict(
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  package_data={},
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  packages=find_packages(where='src'),
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  package_dir={"": "src"},
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+ description='WESTPA is a package for constructing and running stochastic simulations using the "weighted ensemble" approach of Huber and Kim (1996).',
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  )
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{westpa-2022.7 → westpa-2022.8}/src/westpa/_version.py RENAMED
@@ -8,11 +8,11 @@ import json
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  version_json = '''
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  {
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- "date": "2024-04-02T11:29:16-0400",
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+ "date": "2024-04-15T22:37:00-0400",
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  "dirty": false,
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  "error": null,
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- "full-revisionid": "d48640fc3fff59f2f8470d6e7170a73f72fff5c6",
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- "version": "2022.07"
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+ "full-revisionid": "587296bd42835960dc67dc3e91ead8f4dd2c6d97",
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+ "version": "2022.08"
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  }
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  ''' # END VERSION_JSON
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