$LAGRAN, and $TRFDM2 pertain only to GUGA CI, chosen by either $CONTRL's CITYP=GUGA or $MCSCF's CISTEP=GUGA. Equivalent values (using the same keywords) may be given for determinant runs in $DET or $CIDET input groups. ========================================================== $CISORT group (relevant for GUGA -CI- or -MCSCF-) This group provides further control over the sorting of the transformed molecular integrals into the order the GUGA program requires. NDAR = Number of direct access records. (default = 2000) LDAR = Length of direct access record (site dependent) NBOXMX = Maximum number of boxes in the sort. (default = 200) NWORD = Number of words of fast memory to use in this step. A value of 0 results in automatic use of all available memory. (default = 0) NOMEM = 0 (set to one to force out of memory algorithm) ==========================================================
generated on 7/7/2017