Section MULTIPLE_FORCE_EVALS

• Describes how to handle multiple force_evals.

• Section path: CP2K_INPUT / MULTIPLE_FORCE_EVALS

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • FORCE_EVAL_ORDER
  • MULTIPLE_SUBSYS

• Keyword descriptions

  FORCE_EVAL_ORDER
  	FORCE_EVAL_ORDER {Integer} ...
  	Specify the orders of the different force_eval. When using a MIXED force_eval this does not need to be specified in this list, because it that takes into account only the real energy contributions
  	This keyword cannot be repeated and it expects a list of integers.
  	Default value: 1

  MULTIPLE_SUBSYS
  	MULTIPLE_SUBSYS {Logical}
  	Specify if force_eval have different subsys. In case they share the same subsys, it needs to be specified only in the MIXED force_eval (if using MIXED) or in the force_eval corresponding to first force_eval of the previous order (when not using MIXED).
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.