CFOUR_INCORE

This keyword can be used to significantly reduce disk i/o, and should be implemented very soon. The following options are available: OFF (= 0), no special algorithms are used (the default case); ALL (=1) all quantities except the \(\langle ab\vert\vert cd\rangle\) molecular integral lists are held in core; PARTIAL (= 2), the T2 and T1 vectors are held in core throughout the calculation; (=4) all quantities except the \(\langle ab\vert\vert cd\rangle\) and \(\langle ab\vert\vert ci\rangle\) integrals are held in core; (=5) \(\langle ij\vert\vert kl\rangle\) and \(\langle ij\vert\vert ka\rangle\) and two-index quantities are held in core; (=6) all direct access files (MOINTS, GAMLAM, etc.) are held in core. At present, these options have been implemented only in the energy code xvcc and the excitation energy code xvee. (Default: 0)

• Type: string

• Possible Values: OFF, ALL, PARTIAL

• Default: OFF