Section NEIGHBOR_LISTS

• This section specifies the input parameters for the construction of neighbor lists.

• Section path: CP2K_INPUT / FORCE_EVAL / SUBSYS / TOPOLOGY / GENERATE / NEIGHBOR_LISTS

• This section cannot be repeated.

• Subsections

  • none

• Keywords

  • GEO_CHECK
  • NEIGHBOR_LISTS_FROM_SCRATCH
  • VERLET_SKIN

• Keyword descriptions

  GEO_CHECK
  	GEO_CHECK {Logical}
  	This keyword enables the check that two atoms are never below the minimum value used to construct the splines during the construction of the neighbouring list. Disabling this keyword avoids CP2K to abort in case two atoms are below the minimum value of the radius used to generate the splines.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .TRUE.

  NEIGHBOR_LISTS_FROM_SCRATCH
  	NEIGHBOR_LISTS_FROM_SCRATCH {Logical}
  	This keyword enables the building of the neighbouring list from scratch.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  VERLET_SKIN
  	VERLET_SKIN {Real}
  	Defines the Verlet Skin for the generation of the neighbor lists
  	This keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E+000
  	Default unit: [angstrom]