The CP2K project : input section BONDS
Section
BONDS
Index of all sections
. This section is located at
__ROOT__
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FORCE_EVAL
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SUBSYS
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TOPOLOGY
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MOL_SET
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MERGE_MOLECULES
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BONDS
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Defines new bonds. This section can not be repeated and can not be optional.
Subsections
None
Section keywords
_DEFAULT_KEYWORD_
Keyword descriptions
_DEFAULT_KEYWORD_
Two integer indexes per line defining the new bond. Indexes must be relative to the full system and not to the single molecules
This required keyword expects precisely 2 integers, and may repeat
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