pysisyphus
View on PyPI — Reverse Dependencies (0)
0.7.6.post2 | pysisyphus-0.7.6.post2-py3-none-any.whl |
Wheel Details
Project: | pysisyphus |
Version: | 0.7.6.post2 |
Filename: | pysisyphus-0.7.6.post2-py3-none-any.whl |
Download: | [link] |
Size: | 1295035 |
MD5: | be635fbf3061ce00d8cdfb1ba0f76e11 |
SHA256: | b31bc698eb60b9160cb738d8f5c33852ece06d25497b89f347a8c94467db2db1 |
Uploaded: | 2022-06-17 13:09:57 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.37.1) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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pysisyphus/Geometry.py | sha256=Ai1uzuNDGPIRvcnAvxhzH9dTor2OASMjRYL_Fi1I8iA | 48138 |
pysisyphus/TableFormatter.py | sha256=m48LJO4-MUmz5qYRg4yB2iyMv0S_md0elrnUEEEffMY | 1948 |
pysisyphus/TablePrinter.py | sha256=BndJvInZd5rVt7sHmq9uPPmion8AneM-UPnfsjjxFs0 | 1829 |
pysisyphus/__init__.py | sha256=yiqSOZQNoAwke9YFFZSZ6U7tYtlOldtGesH38QcZWHA | 376 |
pysisyphus/color.py | sha256=CtCSSUEUamRZ8TGODmCJj4NhB_F4EInqwM36MyaV-Xc | 296 |
pysisyphus/config.ini.bare | sha256=ho1FnitVGG-MMR0zyRBwT3iWUM1j6W67A_7PIW1V_U0 | 16 |
pysisyphus/config.py | sha256=udyiGR3DCvgGlB4s4m9A729kHV3GAh-1ERBD1uBO7pE | 3306 |
pysisyphus/constants.py | sha256=SsHjX43hA-nqGrADB8Dr6EuVSUwp2kTSJi7qtmhIk2A | 1553 |
pysisyphus/elem_data.py | sha256=oYjuD9exW6xqmLRNFPDGbhPk0V3-yY3SSHw6Ybp91fA | 79829 |
pysisyphus/exceptions.py | sha256=y9pJp4nNhSpGdi47ebgtGyHu8E_v5TbeeaaTT02-Euk | 53 |
pysisyphus/filtertrj.py | sha256=Cnb1HP0pSGQeut8oSAriefb5Y1q0lfktD2evIgwG-xk | 2143 |
pysisyphus/helpers.py | sha256=d6gqzDg_Adme-yHGu6eefXAMwNkUK-DRnrky0tm_lWo | 17948 |
pysisyphus/helpers_pure.py | sha256=0nHwOWj0Kf1cJfzqNxOCR8mkWgU6qakgY83p26FRcUU | 14540 |
pysisyphus/init_logging.py | sha256=_ghuBtku5XndindkPK1YulAGkwr37x_ubp8PqCDAVWM | 1734 |
pysisyphus/linalg.py | sha256=2fFtEC6YfPgLzyGbKuu8Sbhh2gIzhxuoxsE0c3-qS58 | 5184 |
pysisyphus/pack.py | sha256=3aZT_V6wfiCoyR229EjhAMroeYaTWebxQoUaWM8vptg | 4954 |
pysisyphus/peakdetect.py | sha256=ic1xYgv5lL8vEY2fJBI-UT46tYK9Wi9_DpbSaG_uGe4 | 34833 |
pysisyphus/plot.py | sha256=a3Vg3J5hBOtfKY10xqYNfdHQNmEx_sh8jqojZdEoV6o | 32767 |
pysisyphus/run.py | sha256=f5WVHZbCJqfWWbHMwZE6XUu7t6iw1DBvVRGWWgMKw5I | 67776 |
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pysisyphus/testing.py | sha256=c1w6bh3gCw6mlGBJf9rgYOyD-9Es2jmG6CX0N3aicSg | 2460 |
pysisyphus/thermo.py | sha256=fxHGIiDZI9xohRpROgKS0_NNz2zLeGGrArvWQuCLWKY | 4155 |
pysisyphus/trj.py | sha256=Uy-KYn52MMwA3EAC-BCmFswZMlgWSDq6vHGOZDFCc1A | 24375 |
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pysisyphus/xyzloader.py | sha256=6f0FUyle8JxW0CTz1h0Ili1UNGaZkA4EPHWYy6N99qA | 4708 |
pysisyphus/yaml_mods.py | sha256=tcyAfsOkNfaNPbg6IPWzZB5hDevO-0itxHeqRSgy-wA | 1127 |
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pysisyphus/calculators/AFIR.py | sha256=lR8EPUYJq1UUd8oPh5I6tM9UdX7aAE5LR_LbbrITDuo | 16395 |
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pysisyphus/calculators/AnaPotBase.py | sha256=AEIvAbelnrQtREF_eVkelN47b9NSkOYH4FCXxQbCg9I | 10082 |
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pysisyphus/calculators/Calculator.py | sha256=IAl8gCHF21urlvDly7AjRmtsmWte7WL6FmNqqm3azek | 21875 |
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pysisyphus/calculators/DFTBp.py | sha256=5TPqhUoY1rXmaLGXmt9uMLQD1xrQdST0csd9y4lUq04 | 10263 |
pysisyphus/calculators/Dalton.py | sha256=iQ7mrFD7WqbSYvyzMZhClgVGB7ywtEySuvJgrRE1qz8 | 1727 |
pysisyphus/calculators/Dimer.py | sha256=I5d8MRmz8vRhThndwHUifzoeUwNzgJLTpXU_n60fBhU | 24113 |
pysisyphus/calculators/Dummy.py | sha256=L3_MeFKEcvAlx9fX-RmLMcIixVhdjJkgMDStcYmknr4 | 536 |
pysisyphus/calculators/EGO.py | sha256=vKzb4HmfqTLKgbsvVH8G5d1u5-8o68dZGPoHe2awDtw | 2371 |
pysisyphus/calculators/EnergyMin.py | sha256=M-81hwOYtczykKfj2bNsuBKRih6HP4Vcj3ysMu3ewQ4 | 9496 |
pysisyphus/calculators/ExternalPotential.py | sha256=Mh9OwpGushnZB5MlLRrhoI-E56x4Y2goJ2c9_2oGZ3I | 6354 |
pysisyphus/calculators/FakeASE.py | sha256=W6UWQSMUj1re6RCfIX9BEOWgWzvXLJjBLhhBGhJ9oeY | 1000 |
pysisyphus/calculators/FourWellAnaPot.py | sha256=OlFpdlAepAi7CSDLMcbR45tX16m91qVfYSeK7Qn7c_w | 758 |
pysisyphus/calculators/FreeEndNEBPot.py | sha256=Bqch0Va4IP_vPdfAo6PJOh3kEVTJwqhpdHs6spF-dxg | 1099 |
pysisyphus/calculators/Gaussian09.py | sha256=kR4jbVYjR_R0WIaX0E-yAwF1afWerG4f6mxCRAtcbL4 | 523 |
pysisyphus/calculators/Gaussian16.py | sha256=QkAZ5__wc8ztRhEnyYY_r_vWAHFlOwXb3pMZ5vthzuM | 25502 |
pysisyphus/calculators/HardSphere.py | sha256=zHvdE0KG2-Ve-QcT_-AF-vKbu_U2a1-jGol7SRsd_LM | 2681 |
pysisyphus/calculators/IDPPCalculator.py | sha256=cTJ7crvGGjGUshsVNU82HaeA5zrN707a8aPhYqt2gFk | 1400 |
pysisyphus/calculators/IPIClient.py | sha256=IVID0c5vVRE_opo-HhQgUAfqyBVR21bCTw5L-d6z7zc | 5101 |
pysisyphus/calculators/IPIServer.py | sha256=Hd7e6Dqo2Jn5GEHdbOzshI_Y4RYBFIzFrx48-xI6WOM | 7646 |
pysisyphus/calculators/LEPSBase.py | sha256=njkblNeUcoRnrEBUNcLP6iVEN03RR69HhxhKliGLCeA | 650 |
pysisyphus/calculators/LEPSExpr.py | sha256=hkpbkH-YHa-mY_XSIFMqsIP295y-W8kpdrC80QRepcQ | 4641 |
pysisyphus/calculators/LennardJones.py | sha256=H9XwWET0TZOqce2jD96JQhCo06_fc8tHLWcPZTpR-OA | 2628 |
pysisyphus/calculators/MOPAC.py | sha256=GJldmoHdDJ5-fv6nuRh7PpB3q-AT1mFOkawg6nEbWmw | 6737 |
pysisyphus/calculators/MullerBrownSympyPot.py | sha256=9awb0b33WSV8NLw1YYzuFoq2IGYdPTd9JrOPzSDaemw | 1521 |
pysisyphus/calculators/MultiCalc.py | sha256=yr59NF3yVkGF1BQEEoijCYngYVH-6o6OdY0Yzn3umGs | 2617 |
pysisyphus/calculators/OBabel.py | sha256=6qt9g9YDHF678wSV9HQpuPTBphwIaMwykdE4tOr8XeY | 2619 |
pysisyphus/calculators/ONIOMv2.py | sha256=Tt7DpYQMtMl0g_04SsvJHjxo58l1YRe_KVOyLuUF8U8 | 41294 |
pysisyphus/calculators/ORCA.py | sha256=hAO2z5i7j1w01gKI4rdJqGSvKeM1opRKrYriQpjrcCU | 26295 |
pysisyphus/calculators/ORCA5.py | sha256=Rv3TT8QCaDd3XLJEO2D0x5fd5YMFJ74-m2RgdWUSXto | 90 |
pysisyphus/calculators/OpenMM.py | sha256=WJvMI9E_MawbMJqSSVktEygKpn0mjrG6rxEpusNPHk4 | 3169 |
pysisyphus/calculators/OpenMolcas.py | sha256=oK-ogeAD00s5Kozr9QXyvgKOpoOROuSFJLL9QDN0_Ag | 7590 |
pysisyphus/calculators/OverlapCalculator.py | sha256=qufK4Pyn22Vul174EX0Qu_5Etm28GemhNBhVppszF8o | 34622 |
pysisyphus/calculators/Psi4.py | sha256=sB5eR9byxZh5xs_lyDF7iqWIkrQ5wGYzTHOl75li2fs | 5975 |
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pysisyphus/calculators/PySCF.py | sha256=rpAAO5a29bnrBFDOxRCBEbqW0EY50T8A6Mbj0JLqq_w | 9836 |
pysisyphus/calculators/PyXTB.py | sha256=DS_iScCboSe-BX6A53wpl_IGqwBIH0PKr-CXiXmKBEQ | 2402 |
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pysisyphus/calculators/Rastrigin.py | sha256=_1Plj_rs7ngHI4ElImBma5fpKjT3XKLGKphLLtrQf8c | 622 |
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pysisyphus/calculators/Rosenbrock.py | sha256=JaV9d2wE_GbwR5Zk9P8pgWcV_j37GVelyXURl8pcZvY | 422 |
pysisyphus/calculators/SocketCalc.py | sha256=GbMm36XLG4VeZpZCv-Nmd40xlMtChrCD0bRwMdK_F7s | 3130 |
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pysisyphus-0.7.6.post2.dist-info/RECORD | — | — |
top_level.txt
pysisyphus
entry_points.txt
pysis = pysisyphus.run:run
pysisfilter = pysisyphus.filtertrj:run
pysismerge = pysisyphus.drivers.merge:run_merge
pysispack = pysisyphus.pack:run
pysisplot = pysisyphus.plot:run
pysisrc = pysisyphus.config:run_detect_paths
pysisreplace = pysisyphus.drivers.replace:run
pysisthermo = pysisyphus.drivers.thermo:run_thermo
pysistrj = pysisyphus.trj:run