The CP2K project : input section NEIGHBOR_LISTS

Section NEIGHBOR_LISTS

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%TOPOLOGY%GENERATE%NEIGHBOR_LISTS.

This section specifies the input parameters for the construction of neighbor lists. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

VERLET_SKIN
VERLET_SKIN {real}
Defines the Verlet Skin for the generation of the neighbor lists
This optional keyword expects a real. Default unit: [angstrom], default value: 1.0000000000000000E+00 angstrom
NEIGHBOR_LISTS_FROM_SCRATCH
neighbor_lists_from_scratch logical
This keyword enables the building of the neighbouring list from scratch.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
GEO_CHECK
GEO_CHECK
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 optional keyword expects a logical
This keyword behaves as a switch T . Default value: T


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