Wheelodex » Projects » xdatbus

xdatbus

View on PyPI — Reverse Dependencies (0)

0.2.10 xdatbus-0.2.10-py3-none-any.whl

Wheel Details

Project: xdatbus
Version: 0.2.10
Filename: xdatbus-0.2.10-py3-none-any.whl
Download: [link]
Size: 1129444
MD5: 65b9c0f9a674a8e6ba966c19e2f51455
SHA256: 12e9b141e0b9bdbf778d666fa48f176d3747f74cdc1303b7cb5ad7793ed2d16a
Uploaded: 2024-05-02 18:35:43 +0000

dist-info

METADATA · WHEEL · RECORD · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: xdatbus
Version: 0.2.10
Summary: A Python package for post-analysis of VASP AIMD data
Author: Jiacheng Wang
Author-Email: jiachengwang[at]umass.edu
Maintainer: Jiacheng Wang
Home-Page: https://xdatbus.readthedocs.io/en/latest/
Project-Url: Documentation, https://xdatbus.readthedocs.io/en/latest/
Project-Url: Repository, https://github.com/jcwang587/xdatbus/
License: MIT
Keywords: python,aimd,vasp,xdatcar
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.10,<3.12
Requires-Dist: ase (==3.22.1)
Requires-Dist: bpy (==4.0.0); python_version == "3.10.*" and extra == "meta"
Requires-Dist: dash (==2.16.1); extra == "dash"
Requires-Dist: mdanalysis (==2.7.0)
Requires-Dist: numpy (==1.26.4)
Requires-Dist: ovito (==3.10.5); extra == "meta"
Requires-Dist: pandas (==2.2.2)
Requires-Dist: plotly (==5.21.0); extra == "dash"
Requires-Dist: pyarrow (==16.0.0)
Requires-Dist: pymatgen (==2024.4.13)
Requires-Dist: pyyaml (==6.0.1); extra == "meta"
Requires-Dist: rdkit (==2023.9.6); extra == "meta"
Requires-Dist: rich (==13.7.1)
Requires-Dist: statsmodels (==0.14.2)
Provides-Extra: dash
Provides-Extra: meta
Description-Content-Type: text/markdown
[Description omitted; length: 3246 characters]

WHEEL

Wheel-Version: 1.0
Generator: poetry-core 1.9.0
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
xdatbus/__init__.py sha256=jNdBCH8qNaetJevx4MKJJigSFuVcx-Q7Efz0ewTz384 587
xdatbus/bash01_bias.py sha256=TrjP9BTB1TylICaAJh3K40e8pJy0mPVbh724Qq0-BsU 2074
xdatbus/f01_xdc_aggregate.py sha256=7yYTLphrfFvzb1izXfnmpMHH8jEP-BtdCnN-ZwnzTWo 4559
xdatbus/f02_xdc_unwrap.py sha256=u_NsCD4_ovSF3y_TTnDNxJvfHMq7Eo7ZuPG7mq4QLBQ 4145
xdatbus/f03_xyz_unwarp.py sha256=Koq0gsWF_G68zVYlOb_9X4mGWepf05p_QdYc8kTgXO0 2570
xdatbus/fcli.py sha256=eN98DrA6dPiTotZzLSVb6ZbsFBgR2nJ_ZcB0Stq0b-A 1029
xdatbus/fcom01_drift.py sha256=G8dUYPLNRC8lVHOyazeJa2Q8PiLg7MJXYetRcwGmSvs 1481
xdatbus/fcom02_contcar.py sha256=vvEcZ9FlUsfwnB3TdrJsmJc5KyGvQPnY2f5MIalfzaw 1985
xdatbus/fml01_xml2xyz.py sha256=8d7bgqNutQZSmQbptTi-qfkfyQLNjgut4QH7ISz5tQs 3496
xdatbus/fmtd01_fes.py sha256=MlasoWGQew0J4MHi7zjHKNVQI_Hm-SP3jWuHDy46mxI 6165
xdatbus/fmtd02_hillspot2hills.py sha256=Wxhjv5w--UrqKUIs4sbWY0NkirQw_alKfnxKMGv_6aU 3036
xdatbus/fmtd03_report_loader.py sha256=K-7eZgEEuxM-5skWxQOiUDbmTxrj0XyjTNdGMAyIv_E 3998
xdatbus/fmtd04_xdc2xtc.py sha256=3eYY9ymJVbg9Wi-Bs0y_fq5SASLHrEauGd-y9Jrq5gU 889
xdatbus/fmtd05_reweight.py sha256=s6ddRGqyh0GkE6gOEPj5VkPA0K1DHP7L_murzTS7bl4 2251
xdatbus/fmtd06_pmf_3d.py sha256=Yx80S8pK9X-VjZ9TUUnk1orSSLB7peafJX9tHktgMFA 514
xdatbus/fosz01_thermal_report.py sha256=fEOzKigPO-cHCfMnGWYHT5PBX0KesyXPPErtKjZKiVg 3172
xdatbus/resources/__init__.py sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU 0
xdatbus/resources/color_data.yaml sha256=99HhyqDs4-RpZwyLoD5LVDLLFiRL1k6hIgBSigpgW6U 2381
xdatbus/resources/node_data.blend sha256=HbxfSuVur7RxVT97Fh9fLLDir_ePOdhu5k86Izz-ph8 14415950
xdatbus/resources/sum_hills.sh sha256=5Fk8Usac7tT4HHSBrOPknpEN5i4Hlgy0cJK2eKvi6Y4 1786
xdatbus/utils.py sha256=8E1MaWm0_zXD3ZUXfMP9MLKZBKEvWW6OWgWAyHaNNSw 4084
xdatbus/utils_bpy.py sha256=oyrdq6mGdErhZatv2TgaB8aN2p-l9yWECogXirUTBiY 19248
xdatbus-0.2.10.dist-info/LICENSE sha256=bCD7ro-8r3IL-1QJtSVV8jsdi-2g89fnmduHC_4ye4U 1070
xdatbus-0.2.10.dist-info/METADATA sha256=6-nUR2GSjSQIXhmBRNvAZEjjLA99dU7TRTvpNJXFet4 4793
xdatbus-0.2.10.dist-info/WHEEL sha256=sP946D7jFCHeNz5Iq4fL4Lu-PrWrFsgfLXbbkciIZwg 88
xdatbus-0.2.10.dist-info/entry_points.txt sha256=HYE5C6t0sVflR-MII1r_SCfglD19s1FJIFXlZQDmJZI 282
xdatbus-0.2.10.dist-info/RECORD — —

entry_points.txt

[console_scripts]
bias = xdatbus.bash01_bias:main
plot_fes = xdatbus.fmtd04_plot_fes:main
thermal_report = xdatbus.fosz01_thermal_report:main
xdatbus = xdatbus.fcli:main
xdc_aggregate = xdatbus.f01_xdc_aggregate:main
xdc_unwrap = xdatbus.f02_xdc_unwrap:main
xml2xyz = xdatbus.fml01_xml2xyz:main