The CP2K project : input section FRAGMENT

Section FRAGMENT

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

Fragment definition. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
Defines the index of the fragment defined
This optional keyword expects an integer
_DEFAULT_KEYWORD_
Starting and ending atomic index defining one fragment must be provided
This required keyword expects precisely 2 integers
MAP
MAP
Provides the index of the fragment of the MIXED force_eval mapped on the locally defined fragment.
This required keyword expects an integer


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