Section KG_METHOD

• Specifies the parameters for a Kim-Gordon-like partitioning into molecular subunits

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / KG_METHOD

• This section cannot be repeated and can be optional.

• This section cites the following references: [Brelaz1979] [Iannuzzi2006]

• Subsections

  • PRINT

• Keywords

  • COLORING_METHOD

• Keyword descriptions

  COLORING_METHOD
  	COLORING_METHOD GREEDY
  	Which algorithm to use for coloring.
  	This optional keyword cannot be repeated and it expects precisely one keyword.
  	Default value: DSATUR
  	List of valid keywords: DSATUR Maximum degree of saturation, relatively accurate GREEDY Greedy, fast coloring, less accurate