The CP2K project : input section MEMORY

Section MEMORY

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%DFT%QS%SE%MEMORY.

Sets up memory parameters for the storage of the integrals. This section can not be repeated and can be optional.

Subsections

None

Section keywords

Keyword descriptions

EPS_STORAGE
EPS_STORAGE 1.0E-10
Storage threshold for compression is EPS_STORAGE
This optional keyword expects a real. Default value: 1.0000000000000000E-10
MAX_MEMORY
MAX_MEMORY 256
Defines the maximum amount of memory [MB] used to store precomputed (possibly compressed) two-electron two-center integrals
This optional keyword expects an integer. Default value: 50
COMPRESS
COMPRESS
Enables the compression of the integrals in memory.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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