Section MULTIPLE_FORCE_EVALS

• Describes how to handle multiple force_evals.

• Section path: CP2K_INPUT / MULTIPLE_FORCE_EVALS

• This section cannot be repeated and cannot be optional.

• Subsections

  • none

• Keywords

  • FORCE_EVAL_ORDER
  • MULTIPLE_SUBSYS

• Keyword descriptions

  FORCE_EVAL_ORDER
  	FORCE_EVAL_ORDER <INTEGER> .. <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 optional keyword cannot be repeated and it expects a list of integers.
  	Default value: 1

  MULTIPLE_SUBSYS
  	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 optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.