The CP2K project : input section MULTIPLE_FORCE_EVALS

Section MULTIPLE_FORCE_EVALS

Index of all sections. This section is located at __ROOT__%MULTIPLE_FORCE_EVALS.

Describes how to handle multiple force_evals. This section can not be repeated and can not be optional.

Subsections

None

Section keywords

Keyword descriptions

FORCE_EVAL_ORDER
FORCE_EVAL_ORDER ..
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 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 expects a logical
This keyword behaves as a switch T . Default value: F


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