$PDET group (required if NPDET>0 in $GMCPT) This group defined the "parent" determinants, which will be excited to excitation level NEXCIT. There must be a total of NPDET determinants given in the group. Each determinant may have spaces at the front or rear, but not embedded within the string. An example, presuming NPDET=3, is $PDET 2200 2+-0 2-+0 $END ========================================================== $ADDDET group (optional, if NPDET>0 in $GMCPT) $REMDET group (optional, if NPDET>0 in $GMCPT) These two groups add (or remove) determinants from the reference list. The first line in the group tells how many determinants are contained in the group. $ADDDET/$REMDET 2 2002 +-02 $END These two determinants would be generated if the $PDET list was used with NEXCIT=2 (or higher), but this $REMDET would remove them from the generated total reference CI. ==========================================================
generated on 7/7/2017