Section 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. Can be used to speedup classical and ab initio MD simulations.

• Section path: CP2K_INPUT / MOTION / MD / RESPA

• This section cannot be repeated.

• This section cites the following references: [Guidon2008] [TUCKERMAN1992]

• Subsections

  • none

• Keywords

  • FREQUENCY

• Keyword descriptions

  FREQUENCY
  	FREQUENCY {Integer}
  	The number of reference MD steps between two RESPA corrections.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: 5