The CP2K project : input section QM_KIND

Section QM_KIND

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%QMMM%QM_KIND.

Information about the qm kind in the qm/mm scheme. This section can be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
O
The qm kind
This optional keyword expects a word
MM_INDEX
MM_INDEX 1 2
The indexes of the mm atoms that have this kind. This keyword can be repeated several times (useful if you have to specify many indexes).
This optional keyword expects a list of integers, and may repeat


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