Section RI_MP2

• Parameters influencing the RI-MP2 method. RI-MP2 supports gradients.

• Section path: CP2K_INPUT / FORCE_EVAL / DFT / XC / WF_CORRELATION / RI_MP2

• This section cannot be repeated.

• This section cites the following reference: [DelBen2013]

• Subsections

  • none

• Keywords

  • SECTION_PARAMETERS
  • BLOCK_SIZE
  • PRINT_DGEMM_INFO

• Keyword descriptions

  SECTION_PARAMETERS
  	&RI_MP2 {Logical}
  	Putting the &RI_MP2 section activates RI-MP2 calculation.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.

  BLOCK_SIZE
  	BLOCK_SIZE {Integer}
  	Determines the blocking used for communication in RI-MP2. Larger BLOCK_SIZE reduces communication but requires more memory. The default (-1) is automatic.
  	This keyword cannot be repeated and it expects precisely one integer.
  	Default value: -1
  	Alias names for this keyword: MESSAGE_SIZE

  PRINT_DGEMM_INFO
  	PRINT_DGEMM_INFO {Logical}
  	Print details about all DGEMM calls.
  	This keyword cannot be repeated and it expects precisely one logical.
  	The lone keyword behaves as a switch to .TRUE.
  	Default value: .FALSE.