- -i, -input, --input format
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Hint for the format of the input file
- -c, -charge, --charge value
-
Provide the molecular charge
- -j, -json, --json
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Provide output in JSON format to the file 'multicharge.json'
- -g, -grad, --grad
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Evaluate molecular gradient and virial
- -v, -version, --version
-
Print program version and exit
- -h, -help, --help
-
Show this help message