The CP2K project : input section ISOLATED_ATOMS

Section ISOLATED_ATOMS

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%TOPOLOGY%GENERATE%ISOLATED_ATOMS.

This section specifies the atoms that one considers isolated. Useful when present ions in solution. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

LIST
LIST {integer}
Specifies a list of atomic indexes of the isolated ion
This required keyword expects a list of integers, and may repeat


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