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Option: remove-atom


-remove-atom <index>

-rmatom <index>

-rmatom <species>

-rmatom select


This option removes the atom that has the given index, or all atoms of the given species.

Note that if this atom has a shell (in the sense of a core-shell model) and/or auxiliary properties, they are also deleted. In addition, some of the remaining atoms may have a different index after this option is applied.

If a selection was defined (with the option -select) then only selected atoms are removed.

The option -rmatom select removes all selected atoms, no matter their index or their species. It is meant to be used after the option -select, and will not do anything if no selection is defined.


By default no atom is removed.


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