Command Line HelpΒΆ

A description of the commandline interface can be obtained by executing molcharge with the --help option.

prompt> molcharge --help

will generate the following output:

Help functions:
  molcharge --help simple      : Get a list of simple parameters (as seen above)
  molcharge --help all         : Get a complete list of parameters
  molcharge --help defaults    : List the defaults for all parameters
  molcharge --help <parameter> : Get detailed help on a parameter
  molcharge --help html        : Create an html help file for this program
  molcharge --help versions    : List the toolkits and versions used in the application