westpa 2022.11__cp310-cp310-macosx_11_0_arm64.whl → 2022.12__cp310-cp310-macosx_11_0_arm64.whl

{westpa-2022.11.dist-info → westpa-2022.12.dist-info}/RECORD

@@ -1,23 +1,22 @@
-westpa/_version.py,sha256=tWQgWvkf-J3h5mOX5Li8wSan3MM-AjT2sxSxH6w8Obk,499
+westpa/_version.py,sha256=tAUT_kRU38AvSCAATGBiszMeQjkv1JRoR-Uw6k45GNA,499
 westpa/__init__.py,sha256=xyNfYIcP2ncBLu_foO1NKmJrQh8-uYdwvMuM0HsOG1M,329
-westpa/fasthist/_fasthist.cpython-310-darwin.so,sha256=CkUWmLogYYoUAnhiBFmIDVmKmhvYgdeVgYD1JsHiilM,242816
+westpa/fasthist/_fasthist.cpython-310-darwin.so,sha256=wpHGTJAJgfsYPiq1D1lwz5MIdvR5j28Ejn2BTuqgH9c,242896
 westpa/fasthist/__init__.py,sha256=oWj0gKEkKfHjGHwkzmpgAxDz55h2ze_sqQVzWSsOP6s,1071
-westpa/fasthist/__main__.py,sha256=7XCBZvrKbBG3KEuQMpZD0jXa3vVMEVfZJTG8MmdbsrM,3902
 westpa/westext/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-westpa/westext/weed/weed_driver.py,sha256=RizxcNDbEcL5cybOdUw_he7cptrgPD171Su_A9AD-5U,8122
+westpa/westext/weed/weed_driver.py,sha256=zYwFNpJnocds3DHOEz0P3WJU0CzfnuKoBSuVM543jKs,8770
 westpa/westext/weed/UncertMath.py,sha256=RvmETtO4Jr7ti_aaO9jlzTTemqkbtwFljT6Thibn_u8,8768
 westpa/westext/weed/__init__.py,sha256=LTg42k-I3HbtOWkbWkMHOLA-AK23rFz2ja8zg0qFCvk,451
 westpa/westext/weed/BinCluster.py,sha256=sx9xzZy_ot54TkFuBrCXzAtdAwT89TQEpj2cexx9lVo,7680
-westpa/westext/weed/ProbAdjustEquil.py,sha256=eOs1lPB6hjBD44iU8KwVxR1OnaU7Kr0cuxuMVBA5PY0,4218
+westpa/westext/weed/ProbAdjustEquil.py,sha256=LEJyaEYPaHkXH6lIxgsSKbqTTtuwaoQ-IiBaR9r7Dlk,4248
 westpa/westext/adaptvoronoi/adaptVor_driver.py,sha256=xZdBJo-VcX8USB-vpBZWh1qDCMwP-_GMl7V04zaxXN4,8827
 westpa/westext/adaptvoronoi/__init__.py,sha256=Zk7CiLsUJr3qZwZPKSqOBTOVV8uUvsMXkCbiTflMLHA,88
-westpa/westext/stringmethod/string_method.py,sha256=C89D7LScQz7CZcB83kHEy3Cc8RagZNLt-rmd6yGq5WU,10415
+westpa/westext/stringmethod/string_method.py,sha256=eCmrHn2sPrxpzWyqwkWfimH7F93hjSnkCUAiTsJwX44,10420
 westpa/westext/stringmethod/string_driver.py,sha256=8z4pEuflwRx0mb-KaRaqEk98cYUd2cvjglXDp4BRNQQ,9369
 westpa/westext/stringmethod/__init__.py,sha256=1Nk3Uygs6GWr_FJbNH0Rss2DENurIm4WGx86V0qXxy8,310
 westpa/westext/stringmethod/fourier_fitting.py,sha256=499B3GdZ_pYuFP6kK7ICDnL8StMHSKgrjPX9Xyl1NL8,2256
 westpa/westext/wess/__init__.py,sha256=5nw6mcZx7eI4szw0v2q8XBusvb0Q2MUCgGKQUx2j0DE,153
 westpa/westext/wess/ProbAdjust.py,sha256=zc0H_SURBTgxvZFQCFrXeq_pHzRDAG-ejnD6WKQGt5o,3233
-westpa/westext/wess/wess_driver.py,sha256=3CvHfnfap3TAZGVZvkNODxozcIOEhaobn4YN_ZS-htY,8984
+westpa/westext/wess/wess_driver.py,sha256=6-qAfSL8MNrZqIT76ewOjotcJnIVWubfHynHscGEwQE,9632
 westpa/westext/hamsm_restarting/restart_driver.py,sha256=c5D1I82NVo93_zPcGVtA12c2P10mK_NmkBx06upz-GU,50284
 westpa/westext/hamsm_restarting/__init__.py,sha256=0vhEngHBLOp89Mp1CVvt9BYDPosrc1nWGZVNicKFuf8,59
 westpa/westext/hamsm_restarting/example_overrides.py,sha256=3eDzKh_F0yNVm0lN4u0Pnrnj_WR9y4JDXa1-CU7qlbY,1065
@@ -33,46 +32,46 @@ westpa/tools/kinetics_tool.py,sha256=bI73jBmPx5NNjBB-NtosRJ9Br1tmaMPkdlY5qlcTHDA
 westpa/tools/progress.py,sha256=LimIp3qr7rO7ZLGg2SgieFkzEYk1Sn8BtMAhOLRalnA,499
 westpa/tools/iter_range.py,sha256=nVQIvqJ9oXOALyQIFsFp_UqMjW5BBQUd1ShZttb20xo,8730
 westpa/core/systems.py,sha256=pb9YNFUcDhx3Fvhb0NcjlPCdhSUk41IhI0Sqdtr91q8,3693
-westpa/core/we_driver.py,sha256=uxPTAyhZG28EfBSjKdq1EcMNhcYrvGzVK6t5jYHyKSA,40688
+westpa/core/we_driver.py,sha256=O3QzjGGiRjkGJ_sUfM3QWMIBDPRkVMNsq-YurLji-Ow,40761
 westpa/core/wm_ops.py,sha256=o_pc0BHpfCkbveTO5h76hxjXJpQgw1S-zIzVmM_u-Qc,1529
 westpa/core/_rc.py,sha256=yPdvgqZKRS10iOWTS_TYma7Y3sdKnCDDFw5AnQvog9s,25508
 westpa/core/textio.py,sha256=lqohyyyfMTkFvTdQ8V45yUpASiJsWTh42XAG15K63dA,2434
 westpa/core/extloader.py,sha256=yxyJN-lHo3Zjd6jS6_uhC1fIl52H-h8sbV9zYJfEWGg,2239
-westpa/core/sim_manager.py,sha256=eeCg5dALUyZ_Rm1eRRBSOpR_0UDBnyQlBvPkWY4IlzE,38653
+westpa/core/sim_manager.py,sha256=j09wsKN_OFqgg6aOSX5umOEggzGdvnhw7UGx7gyy6MQ,38963
 westpa/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-westpa/core/h5io.py,sha256=s3_Rt8ZjvCpumyDMKctQl406dmo8muRiHHd0L34Qtyk,37077
+westpa/core/h5io.py,sha256=rRi5bEY9YsdZN_BZcA8hhFqIoxFngqDOv9csexg8eZ4,37075
 westpa/core/trajectory.py,sha256=DL7rsowKxBc1jwT7FPZFlfCWKuwagttZxd3SPgxZKU0,10913
 westpa/core/segment.py,sha256=Gd_5htIZ6xKxxCms9XMtJncehGvMVxZeNdy4drxrnpc,4421
 westpa/core/progress.py,sha256=tEDDn-JPY6ZNzYqyrdgA7peo7pDu8kOMvqfyiHWUgps,6753
-westpa/core/data_manager.py,sha256=fHgdILXZoiDyrDv34DjZqS5YyqqG6bbnUBLouqYwOFQ,71924
-westpa/core/states.py,sha256=umsdgSrYjt2vjw-1kQeiILWmureOBmBaOgg0nQxUVmA,13318
+westpa/core/data_manager.py,sha256=sA1Kpcd1iYFeQh0oviG455w9oKxpjjFEDRcNqh4Cgq8,71985
+westpa/core/states.py,sha256=eVEqpQTMyoKmNwz3DFD2S0wM_4vVayl35wbKK3JUJ0Q,13327
 westpa/core/yamlcfg.py,sha256=B78OEr1n_sIkW6kDzl3FO63tiugaT-1VutAgLxU0i7A,12696
-westpa/core/kinetics/matrates.py,sha256=1sf7L6ojLE8yT2sFfgeB8eqgjMHdMK2O_Xgyz_RjCzc,5554
+westpa/core/kinetics/matrates.py,sha256=3kpmV8GJ0mv-8Iy_IdUCfo-gWOGtMzUWHmkibYRgyzs,5569
 westpa/core/kinetics/events.py,sha256=VqYBN5rVOf3hAYUA6xQ6UN7GP6tVgRFIoP69tfGhkTo,6511
 westpa/core/kinetics/__init__.py,sha256=djtiki7X5-IEzwjwswbdgrolwUIzVAHKxCiI5B3WH28,510
-westpa/core/kinetics/_kinetics.cpython-310-darwin.so,sha256=1h3PFO4FxXW4aNxTCCg7uSjoIZlYit6GMoDQERLaXwg,351456
+westpa/core/kinetics/_kinetics.cpython-310-darwin.so,sha256=Ga2iy5uYIFBxV9GuQ-jLUCBBtp5kpNSP6XjZqSHrXmM,351520
 westpa/core/kinetics/rate_averaging.py,sha256=gIKDXBAOSDI6KythepoC4QipUPksTRBc9zbM7DRtwo4,10300
 westpa/core/binning/binless_driver.py,sha256=T5qWpLnjxCS9RdKeWf7eVCC_s6TQFDENL7X3VG6JIYo,2231
 westpa/core/binning/mab_driver.py,sha256=azSqc9pqHk_zc1ptGNjXARDbK-UAnPVmCiYwebi5mPY,2223
 westpa/core/binning/binless.py,sha256=Fb9TI5swQntzXjmlWFbYQ9yjzjLxDKNVVdmRxRqOnIY,4056
-westpa/core/binning/_assign.cpython-310-darwin.so,sha256=pvqQfNBjJFunmcF0DUdx_g02ATN8fgaqTVfuuoeG4Ik,258256
+westpa/core/binning/_assign.cpython-310-darwin.so,sha256=iB2kiSVQrprxbafptdJCLkqNZ2aWqE-IA89YGO_Pu_A,258336
 westpa/core/binning/__init__.py,sha256=XmjBP6fg_id_vDELkcWW3u2GeuL5OPWblvX-kc7mINk,1297
 westpa/core/binning/mab_manager.py,sha256=-bb9CdSXrx6XV8NWHa6Q1CTWVaGa4coAZn_lDlvHCkM,9815
-westpa/core/binning/assign.py,sha256=e1YWyU3R12evLAoIWUrEvv3uvdKFo4u_mfKGDcK5AVU,18028
+westpa/core/binning/assign.py,sha256=_DrgybCG0rFP4WWy9-oAKYNDuC_nd4feaHzsVehvgc4,18146
 westpa/core/binning/binless_manager.py,sha256=XgsLaYhknzWA9IHCqOvmnLXSgM303KnKOUjLe1NM0Zw,9414
-westpa/core/binning/mab.py,sha256=X7L1jx--nNJTNA-PeJGDpwSa2PDMoMb4OtLpjffXQ4A,16046
+westpa/core/binning/mab.py,sha256=_aMwRVdm9HnDFc4l4qI_CtXU0HnnIDfac9f8iDrLKBE,20304
 westpa/core/binning/bins.py,sha256=WDj7DNX3MTVkRvkgAooa9G8VThxw32uIfMTuk9sS194,1460
 westpa/core/reweight/matrix.py,sha256=219sRxkML1V9niPIndSoRvJAC0fUmpG0PLDKpmfWW-g,5509
 westpa/core/reweight/__init__.py,sha256=8goYojsHMcJCZblBC2sc2fcj-NUNVEstbSLswKNlVfg,284
-westpa/core/reweight/_reweight.cpython-310-darwin.so,sha256=fcfeMWxRX8xqVZPenPY-c3GTJmQJH-O55eW1CZ1fTqc,293888
+westpa/core/reweight/_reweight.cpython-310-darwin.so,sha256=7UzHk1LQy0LN5o107tAdQEHFWm1L-HJvVy6xmjJSF-E,293952
 westpa/core/propagators/__init__.py,sha256=rx_kkeg3Tbb_rI0uhLGCD3OwSYj9QuhxF8QGN3mILrg,2373
-westpa/core/propagators/executable.py,sha256=yYextknWycTtyUTFMNyIt6EeLblMdWOJM7YJ4FsZ93E,32203
+westpa/core/propagators/executable.py,sha256=z4RD23gMx6Ux5_nzkpzct77q2rTru0owUv5YrCX5mjE,32448
 westpa/analysis/__init__.py,sha256=CcmVPCB9OSEib0mJ4U-s9v3nrj4h-T_9AGApAbPnn8I,268
 westpa/analysis/core.py,sha256=rZ7xcrskpPwy2lrB27gXT4mSQRbqnPj9D8yA-Utve-M,22426
 westpa/analysis/statistics.py,sha256=M3Gj1bOiAu_SA4upR7gENYEOP2gnIEaSOZeGyoIxAc8,789
 westpa/analysis/trajectories.py,sha256=jyrbbKOVyZ3GjHQushDS_G8C4IRXlUmxa-WzmEEVGwc,12878
-westpa/mclib/__init__.py,sha256=NskP81wKw-tHTniyJ8QbgKAHah5JdpCrnPKJo1T-nLw,11513
-westpa/mclib/_mclib.cpython-310-darwin.so,sha256=ACzivXXNAOtk1aRbKoXAMcY2pw8QSGm3I8pX615qm3g,241104
+westpa/mclib/__init__.py,sha256=ubgbVe8b31xxZiYv1CeaCuxCfVOWjCtPib4dL-Sx52g,11651
+westpa/mclib/_mclib.cpython-310-darwin.so,sha256=8dcns78ijMTXIUW2oOCapoEit_sgrgnO0v9wA6OmrWk,257872
 westpa/mclib/__main__.py,sha256=cKqfE9koMcrHkslEPpFISA4Eblwl0mllaxn7pFeyX1A,881
 westpa/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 westpa/cli/tools/w_direct.py,sha256=5Z9eQpvpKM-40XdiI0L3t0O3jpjMx7tk8ndYAaJxvrc,22361
@@ -81,17 +80,17 @@ westpa/cli/tools/w_postanalysis_matrix.py,sha256=owHtPNcD2RF33C-3oq4LhNWG6M-_nWC
 westpa/cli/tools/w_select.py,sha256=cNtuIgv8-P7bPyHDJmbrVwSasMFth5ULVTpz2QjVdfU,9717
 westpa/cli/tools/ploterr.py,sha256=Fm4Yoexm2c1H5_H8t2GMsXncHcJAltWpp0c5XMnDpW0,18906
 westpa/cli/tools/w_multi_west.py,sha256=Vye1OTiyFHaUkPKMxyOediE1_6hq-EMp7SeoaVO7rwk,20049
-westpa/cli/tools/w_ntop.py,sha256=6wiGWA5ZUy9RU4cOy6J0qSXbHO5uScF19w9N9AmiktQ,8204
+westpa/cli/tools/w_ntop.py,sha256=9Mmz0ZeIyP55N6stuO3FSpFg3Whp4Cu4pmkDEoBGmIk,8234
 westpa/cli/tools/w_kinavg.py,sha256=MjmomiIWoBnjfm8Pq-93y6DoCq26DbCxdJ5bcP-25Ys,4324
 westpa/cli/tools/w_eddist.py,sha256=pAZVIOSgMiJxo7f6AXES_UhAwMaeK4S5Tl58O21hB-w,20056
-westpa/cli/tools/w_red.py,sha256=dz3thw4mU632h6W3iBh_KJhzt5NHwaAYdNbtOilOu5E,15320
-westpa/cli/tools/w_assign.py,sha256=Ui-ihjObZcfwIGfISFtHl5n0bAE-0_CfbAOWRY74YUM,25945
+westpa/cli/tools/w_red.py,sha256=zDLdQ--DYPu4t1w8YXEfNWMt3grKLg2ezwEwfgnbluA,15421
+westpa/cli/tools/w_assign.py,sha256=xDtCWhWzFUsE2kMRRidpuljok5OLFRW7sXMCpD8He0w,25941
 westpa/cli/tools/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 westpa/cli/tools/w_trace.py,sha256=CTZ9xoHCcKOkxy_UX21mCDNJ6wQSEksobKG20anOAE4,23166
 westpa/cli/tools/w_crawl.py,sha256=qbQ5jp0EDFIY6DQovM_t8KRW8we257KV8eXjBBNXFCA,4109
 westpa/cli/tools/plothist.py,sha256=2jpAk_-T2XoWUExUyUNk0JOucPjQX51JxtntXRlQ54I,28051
 westpa/cli/tools/w_kinetics.py,sha256=ALx8t9GGARfdMxgkPEqQzWoRVQkqJneM4EZF2ur_oPk,3542
-westpa/cli/tools/w_fluxanl.py,sha256=a_swklwO2BGW4kwyJHz2RdKNyadfBQgV_wTTBcfS1XA,15564
+westpa/cli/tools/w_fluxanl.py,sha256=jQ3X2yoBlr0QyVPZjMefTm1jLnhaCGrrIMqdvYlQhRg,15453
 westpa/cli/tools/w_reweight.py,sha256=McIhF9qeqUbJ8SFbskw6fn8OtJ9zFLaDQSqLm8xWarY,33410
 westpa/cli/tools/w_pdist.py,sha256=I7yGHMvmU--jjuZNMSxtTSR_vLVhYvhJpjluzcjPGaQ,20821
 westpa/cli/tools/w_ipa.py,sha256=4ToZGmZxw6PM635lVEVMTwI15VcKMSSy6b9CQHET3Rs,37482
@@ -106,12 +105,12 @@ westpa/cli/core/w_truncate.py,sha256=QdIwMespZD69t3tDkqC1bZRo4CICs18ShlVXYSeFPd8
 westpa/cli/core/w_init.py,sha256=V_CvlAuq8flg-zUO01sbMGYkLqrEDD4DU9sV90bYFus,8793
 westpa/cli/core/w_succ.py,sha256=ZK1MHHu7t53VdBrRgJUe7b1R8DnhMKPjHOqbbOjC_As,3074
 westpa/trajtree/__init__.py,sha256=K64Ok5bUP-fXo1H2rigJqxCnm-U23tJlRngNOnzR3gs,96
-westpa/trajtree/_trajtree.cpython-310-darwin.so,sha256=OlYij_GskOkao2xSiieqv6pH9-KIFBxtk3pXp_dl3Fg,141808
+westpa/trajtree/_trajtree.cpython-310-darwin.so,sha256=6t0K-7OX-nTkLecQNqMc6vqPwSu9mF81gr29cEXGiEY,141888
 westpa/trajtree/trajtree.py,sha256=sLf4kTi0QyvFdbSR__YcPwOR2wcOxtlkC4IPUFcq-9M,4497
 westpa/oldtools/files.py,sha256=JmLtZqxD88cybEHcOU6kodAeOJYxylpYFl4OQqU13Hs,944
 westpa/oldtools/miscfn.py,sha256=595W28JazmiU9ioDgOKU9ZxtXJue_q-8WcpOKTgkikQ,909
 westpa/oldtools/__init__.py,sha256=rxAxsQNQMADy5j8xrqW_7Vk3D9ajM7lfDjHaKQHRDTI,62
-westpa/oldtools/cmds/w_ttimes.py,sha256=Ny_l_N7k__4eE71h9ugpk_jr6VZbDH3p4lylFzzlZAc,13158
+westpa/oldtools/cmds/w_ttimes.py,sha256=5fmAMwqfEuaLd5FK2eXtzBtAIG2aogjlWzBHCpyCpaM,13243
 westpa/oldtools/cmds/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 westpa/oldtools/aframe/binning.py,sha256=L259HcIn-1Qz1AKUWBXjZ3HFE0odry7OZf-aG070fSE,7565
 westpa/oldtools/aframe/atool.py,sha256=5_ZkivLChU1wMaEvI-F7i-huMRYg2Dy8AH36eivWI0Y,2185
@@ -122,13 +121,13 @@ westpa/oldtools/aframe/data_reader.py,sha256=nuIkR-vFRW_stcXwcjMSZI1RO73By-x-phf
 westpa/oldtools/aframe/transitions.py,sha256=3cQan9ju2s5hW9KvYs38kuKvSh5RjAsvHlvaY2eOZ_M,18542
 westpa/oldtools/aframe/base_mixin.py,sha256=OAK5NfVfwdPxvFzhxxT_oEnFKR_5s0NRoqTVA6G1gXY,654
 westpa/oldtools/aframe/iter_range.py,sha256=HFODveMwtKAbHXpbt8bII7edVy8RqwC-QPlLXLX66dU,8465
-westpa/oldtools/aframe/mcbs.py,sha256=4yczy11EwGd1918A7YmG-xOqLqQYL_U7jIgJ_c1PN8E,5928
+westpa/oldtools/aframe/mcbs.py,sha256=wic8tt9de5Raq2bQYEwCeh4t9M-I44VpURU1EWAgJjM,6062
 westpa/oldtools/aframe/kinetics.py,sha256=Ohq_B6zbxE6wVX40Ox8FuiGmnrhQ0h4ovvZnJuoul-I,4389
 westpa/oldtools/aframe/output.py,sha256=SVFF-fXsl12f8mV5xTvy8rm5YIs_p4xDvN8zEYaVnTE,1540
 westpa/oldtools/stats/__init__.py,sha256=KFbQJ1tD1Dnq6x50hv_g8xlaL45E65cATSg4APIzweY,119
-westpa/oldtools/stats/edfs.py,sha256=QULNqXNTiHudUgCkDlII8B_Jyr7sCTq0Fc9PWwKmgkc,4081
+westpa/oldtools/stats/edfs.py,sha256=qwgSVoNk_UnnPi1SvXnrQQR28cS-irZvwCErbXdWW1I,4096
 westpa/oldtools/stats/accumulator.py,sha256=AZ1RshALSHjdhfDXidE5_yHaDEsdDXfSzsmogECCoJ8,1137
-westpa/oldtools/stats/mcbs.py,sha256=yMgvdEu70j-h1_kTqYakypFV3s7AtWqJioWuy2bLUFI,3387
+westpa/oldtools/stats/mcbs.py,sha256=gPWSpdg-WKIu1UGkyES4Bs2_OkCcI3HW2jfDkQJ1Oss,3521
 westpa/work_managers/__init__.py,sha256=nHbI9PmRosOeZ11gCHIwpv9qwgXbwUnGt9vIZ0nLtOg,1670
 westpa/work_managers/core.py,sha256=NVe9XhcfizBzXjkymgeo0xLzNLP0tP6-VoTE0uxu91U,15061
 westpa/work_managers/processes.py,sha256=iZRaOW7DEuggDcb92D0goGAbLvYjkSwamdpADx2zooM,6960
@@ -141,10 +140,10 @@ westpa/work_managers/zeromq/__init__.py,sha256=rrl4YbEaZr2AiEBTMlhvEFH83dBlAwWR_
 westpa/work_managers/zeromq/core.py,sha256=K3Iyrz5u2Dy-GgZFL3ZXDN2iaaLm7qL-A3cm4PdBiF8,22907
 westpa/work_managers/zeromq/work_manager.py,sha256=UB_WvnejDRVi1ZU2QWpP9uzhnccOH7b3qHgU-wSstTY,22425
 westpa/work_managers/zeromq/node.py,sha256=CeoJhXVqrZxrV3lMnDtm3LNkGFxjS4dr3E6wd7ZQRTE,4877
-westpa-2022.11.dist-info/RECORD,,
-westpa-2022.11.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
-westpa-2022.11.dist-info/AUTHORS,sha256=YMi91-Fs-vFgZKUaItfh20uXthT9oe2Kq6CQXmqMGqg,671
-westpa-2022.11.dist-info/WHEEL,sha256=fhwHlejkiGLnY3KdFgKqbEwpdvwqEUgg6NmPY5InEX0,109
-westpa-2022.11.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
-westpa-2022.11.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
-westpa-2022.11.dist-info/METADATA,sha256=ZNUuNk0-tU-eHAT3nKAXC1KnqXbsj-P-vuEiaFXy2ZA,7563
+westpa-2022.12.dist-info/RECORD,,
+westpa-2022.12.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
+westpa-2022.12.dist-info/AUTHORS,sha256=ArOZQ8ltOK_8MVF2e7KsoLQCcb5pzKuU7TsMp1rrO8o,666
+westpa-2022.12.dist-info/WHEEL,sha256=nFUG2eIJ1aL_VwX0NYHYLcxES0g_RBXH5h4nlm_oREc,136
+westpa-2022.12.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
+westpa-2022.12.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
+westpa-2022.12.dist-info/METADATA,sha256=Ez6AK9J-B6NujAftGF5RIptGMP9iI0_yS23LuM2_nBc,7815

{westpa-2022.11.dist-info → westpa-2022.12.dist-info}/WHEEL

@@ -1,5 +1,6 @@
 Wheel-Version: 1.0
-Generator: setuptools (70.2.0)
+Generator: setuptools (75.8.2)
 Root-Is-Purelib: false
 Tag: cp310-cp310-macosx_11_0_arm64
+Generator: delocate 0.13.0
 

westpa/fasthist/__main__.py

@@ -1,110 +0,0 @@
-'''
-Created on Jun 25, 2013
-
-@author: mzwier
-'''
-
-import numpy
-from fasthist import histnd
-
-
-def _test_double(npts=1024 * 1024, loops=3):
-    from time import time
-
-    mine_times = [None] * loops
-    theirs_times = [None] * loops
-
-    # though 1.0 should be sufficient, weirdness in the boundary conditions
-    # for numpy.digitize appears to introduce a discrepancy, so throw something
-    # greater than 1.0 in for good measure
-    binbounds = [[0, 0.5, 1, 1.1] for x in range(3)]
-    weights = numpy.random.rand(npts)
-    # weights = numpy.ones((npts,), dtype=numpy.float64)
-    for n in range(loops):
-        testdat = numpy.random.rand(npts, 3)
-        mstart = time()
-        mine = histnd(testdat, binbounds, weights=weights)
-        mstop = time()
-        tstart = time()
-        theirs = numpy.histogramdd(testdat, binbounds, weights=weights)[0]
-        tstop = time()
-        mine_times[n] = mstop - mstart
-        theirs_times[n] = tstop - tstart
-        print(mine)
-        print(theirs)
-        errsum = numpy.abs(mine - theirs).sum()
-        errsum_per_item = errsum / npts
-        rel_err = errsum / numpy.abs(weights).sum()
-        print('sum of the absolute errors: {} ({} relative, {} per entry)'.format(errsum, rel_err, errsum_per_item))
-
-    print('mine, best of {}:   {}'.format(loops, min(mine_times)))
-    print('theirs, best of {}: {}'.format(loops, min(theirs_times)))
-
-
-def _test_float(npts=1024 * 1024, ndim=3, loops=3):
-    from time import time
-
-    mine_times = [None] * loops
-    theirs_times = [None] * loops
-
-    binbounds = [[0, 0.5, 1, 1.1] for x in range(ndim)]
-    # weights = numpy.random.rand(npts)
-    weights = numpy.ones((npts,), dtype=numpy.float64)
-    for n in range(loops):
-        testdat = numpy.require(numpy.random.rand(npts, ndim), numpy.float32)
-        print(testdat)
-        mstart = time()
-        mine = histnd(testdat, binbounds, weights=weights)
-        mstop = time()
-        tstart = time()
-        theirs = numpy.histogramdd(testdat, binbounds, weights=weights)[0]
-        tstop = time()
-        mine_times[n] = mstop - mstart
-        theirs_times[n] = tstop - tstart
-        print(mine)
-        print(theirs)
-        errsum = numpy.abs(mine - theirs).sum()
-        errsum_per_item = errsum / npts
-        rel_err = errsum / numpy.abs(weights).sum()
-        print('sum of the absolute errors: {} ({} relative, {} per entry)'.format(errsum, rel_err, errsum_per_item))
-
-    print('mine, best of {}:   {}'.format(loops, min(mine_times)))
-    print('theirs, best of {}: {}'.format(loops, min(theirs_times)))
-
-
-def _test_uint(npts=1024 * 1024, ndim=3, loops=3):
-    from time import time
-
-    mine_times = [None] * loops
-    theirs_times = [None] * loops
-
-    binbounds = [[0, 1, 2, 3, 4] for x in range(ndim)]
-    # weights = numpy.random.rand(npts)
-    weights = numpy.ones((npts,), dtype=numpy.float64)
-    print('binbounds: {}'.format(binbounds))
-    print('weights')
-    print(weights)
-    for n in range(loops):
-        testdat = numpy.require(numpy.random.randint(0, 4, size=(npts, ndim)), numpy.uint16)
-        print('test data')
-        print(testdat)
-        mstart = time()
-        mine = histnd(testdat, binbounds, weights=weights)
-        mstop = time()
-        tstart = time()
-        theirs = numpy.histogramdd(testdat, binbounds, weights=weights)[0]
-        tstop = time()
-        mine_times[n] = mstop - mstart
-        theirs_times[n] = tstop - tstart
-        print(mine)
-        print(theirs)
-        errsum = numpy.abs(mine - theirs).sum()
-        errsum_per_item = errsum / npts
-        rel_err = errsum / numpy.abs(weights).sum()
-        print('sum of the absolute errors: {} ({} relative, {} per entry)'.format(errsum, rel_err, errsum_per_item))
-
-    print('mine, best of {}:   {}'.format(loops, min(mine_times)))
-    print('theirs, best of {}: {}'.format(loops, min(theirs_times)))
-
-
-_test_float(npts=1024 * 1024, ndim=1)