The CP2K project : input section RESPA

Section RESPA

Index of all sections. This section is located at __ROOT__%MOTION%MD%RESPA.

Multiple timestep integration based on RESPA (implemented for NVE only). RESPA exploits multiple force_eval. In this case the order of the force_eval maps the order of the respa shells from the slowest to the fastest force evaluation. If force_evals share the same subsys, it's enough then to specify the subsys in the force_eval corresponding at the first index in the multiple_force_eval list. This section can not be repeated and can not be optional.

Subsections

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Section keywords

Keyword descriptions

FREQUENCY
FREQUENCY
The number of reference MD steps between two RESPA corrections.
This optional keyword expects an integer. Default value: 5


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