The CP2K project : input section FRAGMENT

Section FRAGMENT

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%BSSE%FRAGMENT.

Specify the atom number belonging to this fragment. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

LIST
LIST {integer} {integer} .. {integer}
Specifies a list of atoms.
This optional keyword expects a list of integers


Back to the CP2K homepage or the latest version of this manual