MDAnalysis 2.6.0__tar.gz → 2.6.1__tar.gz

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.
Files changed (440) hide show
  1. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/AUTHORS +1 -0
  2. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/CHANGELOG +21 -1
  3. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/align.py +1 -1
  4. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/affinityprop.c +800 -336
  5. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/cutils.c +718 -293
  6. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.c +753 -308
  7. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py +13 -9
  8. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/waterdynamics.py +12 -7
  9. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/authors.py +1 -0
  10. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/timestep.cpp +1337 -450
  11. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/groups.py +2 -2
  12. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/selection.py +23 -23
  13. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/topologyattrs.py +3 -3
  14. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/topologyobjects.py +1 -1
  15. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_augment.cpp +1449 -475
  16. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_cutil.cpp +1592 -504
  17. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/c_distances.c +2459 -679
  18. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/c_distances_openmp.c +1369 -414
  19. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/cython_util.c +1442 -445
  20. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libdcd.c +2044 -606
  21. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libmdaxdr.c +2353 -669
  22. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/nsgrid.cpp +1746 -451
  23. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/nsgrid.pyx +8 -8
  24. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/qcprot.c +826 -319
  25. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/guessers.py +7 -2
  26. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/version.py +1 -1
  27. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis.egg-info/PKG-INFO +6 -2
  28. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/PKG-INFO +6 -2
  29. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/pyproject.toml +14 -5
  30. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/setup.py +1 -1
  31. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/INSTALL +0 -0
  32. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/LICENSE +0 -0
  33. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MANIFEST.in +0 -0
  34. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/__init__.py +0 -0
  35. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/__init__.py +0 -0
  36. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/atomicdistances.py +0 -0
  37. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/base.py +0 -0
  38. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/bat.py +0 -0
  39. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/contacts.py +0 -0
  40. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/data/__init__.py +0 -0
  41. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/data/filenames.py +0 -0
  42. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/data/janin_ref_data.npy +0 -0
  43. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/data/rama_ref_data.npy +0 -0
  44. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/density.py +0 -0
  45. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/dielectric.py +0 -0
  46. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/diffusionmap.py +0 -0
  47. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/dihedrals.py +0 -0
  48. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/distances.py +0 -0
  49. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/__init__.py +0 -0
  50. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/bootstrap.py +0 -0
  51. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/ClusterCollection.py +0 -0
  52. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/ClusteringMethod.py +0 -0
  53. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/__init__.py +0 -0
  54. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/affinityprop.pyx +0 -0
  55. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/cluster.py +0 -0
  56. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/include/ap.h +0 -0
  57. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/clustering/src/ap.c +0 -0
  58. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/confdistmatrix.py +0 -0
  59. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/covariance.py +0 -0
  60. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/cutils.pyx +0 -0
  61. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/DimensionalityReductionMethod.py +0 -0
  62. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/__init__.py +0 -0
  63. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/include/spe.h +0 -0
  64. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/reduce_dimensionality.py +0 -0
  65. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/src/spe.c +0 -0
  66. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.pyx +0 -0
  67. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/similarity.py +0 -0
  68. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/encore/utils.py +0 -0
  69. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/gnm.py +0 -0
  70. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hbonds/__init__.py +0 -0
  71. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hbonds/hbond_autocorrel.py +0 -0
  72. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/helix_analysis.py +0 -0
  73. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hole2/__init__.py +0 -0
  74. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hole2/hole.py +0 -0
  75. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hole2/templates.py +0 -0
  76. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hole2/utils.py +0 -0
  77. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hydrogenbonds/__init__.py +0 -0
  78. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hydrogenbonds/hbond_autocorrel.py +0 -0
  79. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py +0 -0
  80. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/leaflet.py +0 -0
  81. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/legacy/__init__.py +0 -0
  82. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/legacy/x3dna.py +0 -0
  83. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/lineardensity.py +0 -0
  84. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/msd.py +0 -0
  85. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/nucleicacids.py +0 -0
  86. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/nuclinfo.py +0 -0
  87. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/pca.py +0 -0
  88. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/polymer.py +0 -0
  89. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/psa.py +0 -0
  90. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/rdf.py +0 -0
  91. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/analysis/rms.py +0 -0
  92. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/auxiliary/EDR.py +0 -0
  93. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/auxiliary/XVG.py +0 -0
  94. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/auxiliary/__init__.py +0 -0
  95. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/auxiliary/base.py +0 -0
  96. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/auxiliary/core.py +0 -0
  97. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/OpenMM.py +0 -0
  98. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/OpenMMParser.py +0 -0
  99. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/ParmEd.py +0 -0
  100. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/ParmEdParser.py +0 -0
  101. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/RDKit.py +0 -0
  102. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/RDKitParser.py +0 -0
  103. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/converters/__init__.py +0 -0
  104. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/CRD.py +0 -0
  105. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/DCD.py +0 -0
  106. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/DLPoly.py +0 -0
  107. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/DMS.py +0 -0
  108. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/FHIAIMS.py +0 -0
  109. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/GMS.py +0 -0
  110. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/GRO.py +0 -0
  111. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/GSD.py +0 -0
  112. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/H5MD.py +0 -0
  113. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/INPCRD.py +0 -0
  114. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/LAMMPS.py +0 -0
  115. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/MMTF.py +0 -0
  116. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/MOL2.py +0 -0
  117. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/NAMDBIN.py +0 -0
  118. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/PDB.py +0 -0
  119. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/PDBQT.py +0 -0
  120. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/PQR.py +0 -0
  121. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/ParmEd.py +0 -0
  122. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/TNG.py +0 -0
  123. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/TRJ.py +0 -0
  124. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/TRR.py +0 -0
  125. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/TRZ.py +0 -0
  126. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/TXYZ.py +0 -0
  127. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/XDR.py +0 -0
  128. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/XTC.py +0 -0
  129. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/XYZ.py +0 -0
  130. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/__init__.py +0 -0
  131. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/base.py +0 -0
  132. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/chain.py +0 -0
  133. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/chemfiles.py +0 -0
  134. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/core.py +0 -0
  135. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/memory.py +0 -0
  136. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/null.py +0 -0
  137. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/timestep.pxd +0 -0
  138. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/coordinates/timestep.pyx +0 -0
  139. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/__init__.py +0 -0
  140. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/_get_readers.py +0 -0
  141. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/accessors.py +0 -0
  142. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/topology.py +0 -0
  143. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/core/universe.py +0 -0
  144. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/due.py +0 -0
  145. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/exceptions.py +0 -0
  146. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/NeighborSearch.py +0 -0
  147. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/__init__.py +0 -0
  148. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_augment.pyx +0 -0
  149. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_cutil.pxd +0 -0
  150. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_cutil.pyx +0 -0
  151. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/_distopia.py +0 -0
  152. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/c_distances.pyx +0 -0
  153. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/c_distances_openmp.pyx +0 -0
  154. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/correlations.py +0 -0
  155. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/distances.py +0 -0
  156. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/__init__.py +0 -0
  157. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/cython_util.pxd +0 -0
  158. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/cython_util.pyx +0 -0
  159. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/endianswap.h +0 -0
  160. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/fastio.h +0 -0
  161. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/readdcd.h +0 -0
  162. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/trr_seek.h +0 -0
  163. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/xdrfile.h +0 -0
  164. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/xdrfile_trr.h +0 -0
  165. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/xdrfile_xtc.h +0 -0
  166. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/include/xtc_seek.h +0 -0
  167. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libdcd.pxd +0 -0
  168. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libdcd.pyx +0 -0
  169. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libmdaxdr.pxd +0 -0
  170. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/libmdaxdr.pyx +0 -0
  171. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/src/trr_seek.c +0 -0
  172. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/src/xdrfile.c +0 -0
  173. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/src/xdrfile_trr.c +0 -0
  174. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/src/xdrfile_xtc.c +0 -0
  175. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/formats/src/xtc_seek.c +0 -0
  176. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/include/calc_distances.h +0 -0
  177. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/libmdanalysis/__init__.pxd +0 -0
  178. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/log.py +0 -0
  179. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/mdamath.py +0 -0
  180. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/picklable_file_io.py +0 -0
  181. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/pkdtree.py +0 -0
  182. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/qcprot.pyx +0 -0
  183. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/src/transformations/AUTHOR +0 -0
  184. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/src/transformations/LICENCE +0 -0
  185. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/src/transformations/transformations.c +0 -0
  186. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/transformations.py +0 -0
  187. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/lib/util.py +0 -0
  188. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/__init__.py +0 -0
  189. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/base.py +0 -0
  190. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/charmm.py +0 -0
  191. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/gromacs.py +0 -0
  192. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/jmol.py +0 -0
  193. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/pymol.py +0 -0
  194. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/selections/vmd.py +0 -0
  195. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/tests/__init__.py +0 -0
  196. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/tests/datafiles.py +0 -0
  197. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/CRDParser.py +0 -0
  198. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/DLPolyParser.py +0 -0
  199. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/DMSParser.py +0 -0
  200. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/ExtendedPDBParser.py +0 -0
  201. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/FHIAIMSParser.py +0 -0
  202. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/GMSParser.py +0 -0
  203. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/GROParser.py +0 -0
  204. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/GSDParser.py +0 -0
  205. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/HoomdXMLParser.py +0 -0
  206. {MDAnalysis-2.6.0 → MDAnalysis-2.6.1}/MDAnalysis/topology/ITPParser.py +0 -0
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@@ -220,6 +220,7 @@ Chronological list of authors
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  - Mohit Kumar
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  - Shubham Kumar
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  - Zaheer Timol
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+ - Geongi Moon
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  External code
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  -------------
@@ -13,11 +13,31 @@ The rules for this file:
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  * release numbers follow "Semantic Versioning" http://semver.org
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  ------------------------------------------------------------------------------
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+ 28/08/23 IAlibay, hmacdope, pillose, jaclark5, tylerjereddy
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+
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+ * 2.6.1
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+
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+ Fixes
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+ * Fix Atom type guessing error (PR #4168, Issue #4167)
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+
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+ Enhancements
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+
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+ Changes
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+ * Reverts PR #4108, builds are now again made using the oldest
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+ supported Python version.
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+ * NumPy `in1d` replaced with `isin` in preparation for NumPy
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+ `2.0` (PR #4255)
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+ * Update documentation for SurvivalProbabilty to be more clear
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+ (Issue #4247)
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+ * Cython DEF statments have been replaced with compile time integer constants
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+ as DEF is deprecated as of Cython>=3.0 (Issue #4237, PR #4246)
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+
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+ Deprecations
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+
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  08/15/23 IAlibay, jaclark5, MohitKumar020291, orionarcher, xhgchen,
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  ztimol, orbeckst
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-
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  * 2.6.0
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  Fixes
@@ -1437,7 +1437,7 @@ def get_matching_atoms(ag1, ag2, tol_mass=0.1, strict=False, match_atoms=True):
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  good = ag.residues.resids[match_mask] # resid for each residue
1438
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  resids = ag.resids # resid for each atom
1439
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  # boolean array for all matching atoms
1440
- ix_good = np.in1d(resids, good)
1440
+ ix_good = np.isin(resids, good)
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  return ag[ix_good]
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  _ag1 = get_atoms_byres(ag1)