-remove-shells <species>
-rmshells <species>
This option removes shells (in the sense of an ionic core-shell model) of the given species. If <species> is set to "all" or "any" then all shells are removed.
If a selection was defined (with the option -select) then shells are removed only from selected atoms.
By default no shell is removed.
atomsk initial.gin -remove-shells Ti final.gin
This will read the GULP file initial.gin, remove shells from titanium ions, and output the result to final.gin.
atomsk REVCON -rmshells all final.gin
This will remove all shells.