Section MEMORY

• Sets up memory parameters for the storage of the integrals

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / QS / SE / MEMORY

• This section cannot be repeated and can be optional.

• Subsections

  • none

• Keywords

  • COMPRESS
  • EPS_STORAGE
  • MAX_MEMORY

• Keyword descriptions

  COMPRESS
  	COMPRESS <LOGICAL>
  	Enables the compression of the integrals in memory.
  	This optional keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  EPS_STORAGE
  	EPS_STORAGE 1.0E-10
  	Storage threshold for compression is EPS_STORAGE
  	This optional keyword cannot be repeated and it expects precisely one real.
  	Default value: 1.00000000E-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 cannot be repeated and it expects precisely one integer.
  	Default value: 50