Quantum Chemical Softwares Input Generater & Output Parser
Project description
CHEMIO
Chemical file IO
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
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