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Quantum Chemical Softwares Input Generater & Output Parser

Project description

CHEMIO

Chemical file IO

Build Status PyPI

read/write

import chemio
chemio.read(filename, index)
chemio.write(arrays, filename, format)

cli

# chemio -h
usage: chemio [-h] [-i INDEX] [-k KEY] [--type TYPE] filename

positional arguments:
  filename

optional arguments:
  -h, --help            show this help message and exit
  -i INDEX, --index INDEX
  -k KEY, --key KEY
  --type TYPE


chemio filename

Project details


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Files for chemio, version 1.2.0
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