The CP2K project : input section BONDS

Section BONDS

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%TOPOLOGY%MOL_SET%MERGE_MOLECULES%BONDS.

Defines new bonds. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

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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