richard-evans / vampire

Atomistic simulator for magnetic materials
GNU General Public License v2.0
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Vdc #66

Closed daniel-meilak closed 2 years ago

daniel-meilak commented 2 years ago

Reintroduced command line parameters to vdc

With the aim of being a secondary method for using input parameters, parameters normally used only in the vdc input file can now also be used in the command line, with a few rules. The VAMPIRE manual has been updated to reflect this change.

Parameters passed to the command line must use "--" notation. Aside from this, vdc is very lenient with usage of special characters, uppercase letters or spaces used in the parameter or following arguments, as in the vdc input file. If multiple parameters are used in the command line (not recommended, as this is the main use of the input file), order does not matter.

In general, the same parameters should not be repeated in the command line and vdc input. If this occurs, parameters passed in the command line take precedence and a warning message is shown. This does not affect slice parameters, which are specifically allowed to be defined multiple times.

Spelling errors, unknown parameters or incorrect arguments passed in the command line halt the program and produce an error which states that the errors are in the command line parameters.