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|Input reference of CP2K version 4.1 (Revision svn:17462)
|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
|Threshold for discriminate if a given ij pairs of the unrelaxed MP2 density matrix has to be calculated with a canonical reformulation based on the occupied eigenvalues differences.
|This keyword cannot be repeated and it expects precisely one real.
|Default value: 1.00000000E-007
|Free the buffer containing the 4 center integrals used in the Hartree-Fock exchange calculation. This will be effective only for gradients calculations, since for the energy only case, the buffers are released by default. (Right now debugging only).
|This keyword cannot be repeated and it expects precisely one logical.
|The lone keyword behaves as a switch to .TRUE.
|Default value: .TRUE.
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|(Last update: 5.10.2016)