pymatflow

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0.1.1a4 pymatflow-0.1.1a4-py3-none-any.whl

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Project: pymatflow
Version: 0.1.1a4
Filename: pymatflow-0.1.1a4-py3-none-any.whl
Download: [link]
Size: 945005
MD5: ce13fce4ec10f8176617d28e038eca19
SHA256: 9b9d81308e78fe40998664a53187cb1746f90ba79c185def06ef5ccdb7dbd044
Uploaded: 2022-02-12 03:59:27 +0000

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METADATA

Metadata-Version: 2.1
Name: pymatflow
Version: 0.1.1a4
Summary: An emulation assistant, input generation and manage for DFT programs
Author-Email: pymatflow[at]163.com
Home-Page: https://gitlab.com/deqitang/pymatflow
License: MIT
Keywords: Ab intio,DFT,workflow,input generation
Platform: any
Requires-Python: >=3.0
Requires-Dist: atomsciflow
Requires-Dist: ase
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: matplotlib
License-File: LICENSE
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pymatflow

entry_points.txt

elkflow = pymatflow.elk.elkflow:main
excitingflow = pymatflow.exciting.excitingflow:main
lflow = pymatflow.cmd.lmpflow:main
lmpflow = pymatflow.cmd.lmpflow:main
matflow = pymatflow.cmd.matflow:main
mflow = pymatflow.cmd.matflow:main
octoflow = pymatflow.octopus.octoflow:main
pflow = pymatflow.cmd.postflow:main
postflow = pymatflow.cmd.postflow:main
psoflow = pymatflow.flow.calypso.psoflow:main
sflow = pymatflow.cmd.structflow:main
structflow = pymatflow.cmd.structflow:main
xtbflow = pymatflow.xtb.xtbflow:main