The CP2K project : input section FRAGMENT
Section
FRAGMENT
Index of all sections
. This section is located at
__ROOT__
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FORCE_EVAL
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BSSE
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FRAGMENT
.
Specify the atom number belonging to this fragment. This section can be repeated and can not be optional.
Subsections
None
Section keywords
LIST
Keyword descriptions
LIST
LIST {integer} {integer} .. {integer}
Specifies a list of atoms.
This optional keyword expects a list of integers
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