Section QM_KIND

• Information about the QM kind in the QM/MM scheme

• Section path: CP2K_INPUT / FORCE_EVAL / QMMM / FORCE_MIXING / BUFFER_NON_ADAPTIVE / QM_KIND

• This section can be repeated.

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • MM_INDEX

• Keyword descriptions

  SECTION_PARAMETERS
  	&QM_KIND {Word}
  	The QM kind
  	This keyword cannot be repeated and it expects precisely one word.

  MM_INDEX
  	MM_INDEX {Integer} ...
  	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 keyword can be repeated and it expects a list of integers.