dftbplus-step
View on PyPI — Reverse Dependencies (0)
| 2024.4.24 | dftbplus_step-2024.4.24-py2.py3-none-any.whl |
Wheel Details
| Project: | dftbplus-step |
| Version: | 2024.4.24 |
| Filename: | dftbplus_step-2024.4.24-py2.py3-none-any.whl |
| Download: | [link] |
| Size: | 162061 |
| MD5: | 503d3ca48a7333fddb848edf5eccb761 |
| SHA256: | d341b17d78e0fff29cf978dfe30bdee979078d238f762b3b91014d8e36643d67 |
| Uploaded: | 2024-04-24 21:59:01 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt · zip-safe
METADATA
WHEEL
| Wheel-Version: | 1.0 |
| Generator: | bdist_wheel (0.43.0) |
| Root-Is-Purelib: | true |
| Tag: | py2-none-any |
| Tag: | py3-none-any |
RECORD
| Path | Digest | Size |
|---|---|---|
| dftbplus_step/__init__.py | sha256=Hd5SkUJyKbR7gbFOAeBykE9JYMT5ySRxFIT9x5f43Cc | 2479 |
| dftbplus_step/__main__.py | sha256=1qhclVUdENQPqzJlNVLOYsrcAuosj8pgJu5MSXUh0Co | 429 |
| dftbplus_step/_version.py | sha256=454khx19kiE1FXAB08t23qyXiVBYeb3gR6xl4zCGCq4 | 501 |
| dftbplus_step/band_structure.py | sha256=qeenbGgt1EsJRfRvvhPJ8BrScfkHms-16SStPo5_cTk | 8852 |
| dftbplus_step/band_structure_parameters.py | sha256=irEty-RsmhROI65Y_2b5b4d_RuAXWFP5qJzrFaCM3is | 1600 |
| dftbplus_step/band_structure_step.py | sha256=AJejQhM3_7rFIblWBS6QZ_dqRGoh8l7xkS7CxjAucHw | 977 |
| dftbplus_step/base.py | sha256=oyRzK6c7NOZr_9cnKjo1oQktz26LVLL1w0biFGfOcD8 | 27343 |
| dftbplus_step/choose_parameters.py | sha256=YtaLEyFQFLSiMLEtTk2x78dVeAmWRh5lodqsQHm3q1c | 8990 |
| dftbplus_step/choose_parameters_parameters.py | sha256=qL6ydNYaPNPf9koXNY_7mm_p-7TjMLUeTp5ltztLxSc | 2274 |
| dftbplus_step/choose_parameters_step.py | sha256=vqNjc95bqySuehtx4GVk-_Yf3B1ixQCEPcReN5eSDmc | 992 |
| dftbplus_step/computational_models.py | sha256=kX1_hQiQ5dFcyY3e4bn_xl7ZWAu_R20U-2-a09EWYQU | 2246 |
| dftbplus_step/dftbplus.py | sha256=5x9x6KWxi3mCb73HuDgBpuiYbbxiygaAHulmKFMEIjM | 16220 |
| dftbplus_step/dftbplus_parameters.py | sha256=llLT-u_6Fi26saS65Yp69q5ShJadi4dzRSzymukCH9Q | 3825 |
| dftbplus_step/dftbplus_step.py | sha256=fVK_aqr_sVpwxOBn6Wv8ZSNT2hXHm89FsKS2py47df4 | 2897 |
| dftbplus_step/dos.py | sha256=XYNLtUMNLhAVeW_1vGk6sx6ZEfGmFlgj8erBAlUcpms | 10122 |
| dftbplus_step/dos_parameters.py | sha256=116P0rHb8dTlDkrntNEnpDVOEGWeynben9v7ISF26iI | 2973 |
| dftbplus_step/dos_step.py | sha256=fT4Qqw1VboIB0ohyPioLOvFNwYmYWbj_Z-cyI-tMcj0 | 915 |
| dftbplus_step/energy.py | sha256=QiUARd66oggktH02Zhk0_pbAMzDn1hJU63RJ-WZj-RY | 42548 |
| dftbplus_step/energy_parameters.py | sha256=qrolUsjSh8nP7OzuOlFAyhucbfLk8AqBS6Zni5ksaLI | 14521 |
| dftbplus_step/energy_step.py | sha256=etW6UK9HlpMJXxvUKqfFzRkK-keN7YDSZoDmtcwH6nM | 959 |
| dftbplus_step/installer.py | sha256=85Zu7WZ3CPCPSHLcOe7RMa7rEmpb5NJjRM2pLi6GMwo | 16387 |
| dftbplus_step/metadata.py | sha256=I7S9ZXdca4NAS1W3oLsSi4BhK44TjgkksJV6ZU6PBkk | 6082 |
| dftbplus_step/optimization.py | sha256=TjC3weV6pWKDDO_ER6o5S1qw2OszSWPTJSct2b79Pv0 | 7498 |
| dftbplus_step/optimization_parameters.py | sha256=s8QwkGzvU1fkNRKu_BAgxXT4uCsPkvJqVpYlWQxc_E4 | 7442 |
| dftbplus_step/optimization_step.py | sha256=uoJWh-Julsrk78VlmWLIophCELAPLn4JiGdb7kWHFl0 | 974 |
| dftbplus_step/slako.py | sha256=3UyTrwZXXz-Xu11ih_iLPe8a6GpG0cduLfFbPGH0R_8 | 24108 |
| dftbplus_step/tk_band_structure.py | sha256=DJ-o2RcUWUBgvJkjRmdoyUwwQF-oAbUPDnVFhk-Qau8 | 1992 |
| dftbplus_step/tk_choose_parameters.py | sha256=pY46HbziPUaGEr34rDSCfbWrzSGvbd_i76rjcBwVJAs | 10716 |
| dftbplus_step/tk_dftbplus.py | sha256=ULDAidzd6jxn3VvgO-bRdEh2g5dtQ2EBJu9p2DTc044 | 6529 |
| dftbplus_step/tk_dos.py | sha256=xCy3metkF52uE-laySWFOmY7dHutWIEKHIBgpY8Mz9A | 3154 |
| dftbplus_step/tk_energy.py | sha256=_CwQ_n4Z_Z-XRi-8SSLDsVF9EmHMuQz7mFSykO-pdKw | 8166 |
| dftbplus_step/tk_optimization.py | sha256=UW89J-1aQrhIYBh8QCR8JE7wK2g0rItNz3C9MyMD458 | 4786 |
| dftbplus_step/data/configuration.txt | sha256=RD0sjGPErPtKCSzZQigXEfH41l0sTp8Pxij4-WQVUbk | 206 |
| dftbplus_step/data/dftbplus.ini | sha256=FliWoP7lp7MzQ3hV_DGXlK_g7x_C_n5c_Bqq9Rl0aEQ | 2663 |
| dftbplus_step/data/metadata.json | sha256=6QZSxBQ-hwkbrqLk2QoQ4tvuRQ7lXtpAM9gfehRoX8M | 648880 |
| dftbplus_step/data/properties.csv | sha256=4na9y8uVWL-99bvIRc1fhVmtywLBwZ1zVibVO5geKYU | 412 |
| dftbplus_step/data/references.bib | sha256=buyo0vQRNl-kAdshK5rQZk62epXvvWnci1IMDw72UUY | 7170 |
| dftbplus_step/data/seamm-dftbplus.yml | sha256=JTPw43tDvLNRboKKX8bn_rKodSQJF616NMrfGC7QCQQ | 148 |
| dftbplus_step/data/spin-constants.json | sha256=eNzoSknwHBFLHJbXCLva6K2kb7fh5XZStdL8BBjP3sw | 4518 |
| dftbplus_step-2024.4.24.dist-info/AUTHORS.rst | sha256=dnvz-P2Nt2YAzxYglfGf6O_1OQn5-hwLXmAd5lpo-iY | 151 |
| dftbplus_step-2024.4.24.dist-info/LICENSE | sha256=OlV2O9iuSHGV8CObOm47312xTbFTZegVDlUsgpscpwk | 1529 |
| dftbplus_step-2024.4.24.dist-info/METADATA | sha256=V0CVdm39T6r6v35IpvNp1dVvuVTtj8reJzsXAhd7BOU | 10998 |
| dftbplus_step-2024.4.24.dist-info/WHEEL | sha256=DZajD4pwLWue70CAfc7YaxT1wLUciNBvN_TTcvXpltE | 110 |
| dftbplus_step-2024.4.24.dist-info/entry_points.txt | sha256=G40m3TAmZf_Uy_N7AnbSxyIZSLpIaIPv58v9EAucCOs | 665 |
| dftbplus_step-2024.4.24.dist-info/top_level.txt | sha256=hDIXSyCKiHqtNSmGdzEL85RNiKkES0VgHDJp9j9wOvE | 14 |
| dftbplus_step-2024.4.24.dist-info/zip-safe | sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs | 1 |
| dftbplus_step-2024.4.24.dist-info/RECORD | — | — |
top_level.txt
dftbplus_step
entry_points.txt
dftbplus-step-installer = dftbplus_step.__main__:run
DFTB+ = dftbplus_step:DftbplusStep
BandStructure = dftbplus_step:BandStructureStep
ChooseParameters = dftbplus_step:ChooseParametersStep
DOS = dftbplus_step:DOSStep
Energy = dftbplus_step:EnergyStep
Optimization = dftbplus_step:OptimizationStep
BandStructure = dftbplus_step:BandStructureStep
ChooseParameters = dftbplus_step:ChooseParametersStep
DOS = dftbplus_step:DOSStep
Energy = dftbplus_step:EnergyStep
Optimization = dftbplus_step:OptimizationStep
DFTB+ = dftbplus_step:DftbplusStep