NEIGHBOR_LISTS

This section specifies the input parameters for the construction of neighbor lists. [Edit on GitHub]

Keywords

GEO_CHECK
NEIGHBOR_LISTS_FROM_SCRATCH
VERLET_SKIN

Keyword descriptions

GEO_CHECK

Type: logical
Default: T
Lone keyword: T
Usage: GEO_CHECK

Description: 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.

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NEIGHBOR_LISTS_FROM_SCRATCH

Type: logical
Default: F
Lone keyword: T
Usage: neighbor_lists_from_scratch logical

Description: This keyword enables the building of the neighbouring list from scratch.

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VERLET_SKIN

Type: real
Default: 1.00000000E+000 [angstrom]
Usage: VERLET_SKIN {real}

Description: Defines the Verlet Skin for the generation of the neighbor lists

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