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Option: spacegroup


-spacegroup <group>


This option applies the symmetry operations of the given space group to the current system.

The <group> can either be the space group number, or the Hermann-Mauguin symbol (without any blank space). After application of symmetry operations, atom duplicates are removed.

Note that this option changes the number of atoms in the system (but does not change the box vectors).


Files in the CIF format, the GULP input file format, or the JEMS format, or the VESTA format, may contain a space group number (or Hermann-Mauguin symbol). When they do, Atomsk immediately applies the corresponding symmetry operations. Otherwise, no symmetry operation is applied by default.


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