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multicharge.1.adoc

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multicharge(1)

Name

multicharge - Atomic partial charge model.

Synopsis

multicharge [options] input

Description

Electronegativity equilibration model for atomic partial charges.

Options

-i, --input format

Hint for the format of the input file

--grad

Evaluate molecular gradient and virial

--version

Print program version and exit

--help

Show this help message