22 lines
928 B
ReStructuredText
22 lines
928 B
ReStructuredText
Input script command style
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==========================
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New commands can be added to LAMMPS input scripts by adding new classes
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that are derived from the Command class and thus must have a "command"
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method. For example, the create_atoms, read_data, velocity, and run
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commands are all implemented in this fashion. When such a command is
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encountered in the LAMMPS input script, LAMMPS simply creates a class
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instance with the corresponding name, invokes the "command" method of
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the class, and passes it the arguments from the input script. The
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command method can perform whatever operations it wishes on LAMMPS data
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structures.
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The single method your new class must define is as follows:
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+---------+-----------------------------------------+
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| command | operations performed by the new command |
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+---------+-----------------------------------------+
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Of course, the new class can define other methods and variables as
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needed.
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