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Modes specify what Atomsk will do with the files, e.g. convert a file to other format(s), merge several files, compute some properties... Only one mode can be used at a time.

If the program is invoked without any command-line argument (i.e. just type "atomsk") then the program will enter the interactive mode.

If command-line arguments are given but no mode is specified then the program will run in normal mode.

Other modes must be called explicitely with their name, always prefixed with two dashes, in the form --<mode>. Please refer to the documentation for each mode below.

The modes below perform some particular calculation on one or several systems.

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