$INTGRL group                               (optional)                          
    This group controls AO integral formats.  Probably the                      
only values that should ever be selected are QFMM or                            
NINTIC, as the program picks sensible values otherwise.                         
 QFMM   = a flag to use the quantum fast multipole method                       
          for linear scaling Fock matrix builds.  This is                       
          available for RHF, UHF, and ROHF wavefunctions,                       
          and for DFT, but not with any other correlation                       
          treatment.  You must select DIRSCF=.TRUE. in                          
          $SCF if you use this option.  The RHF and closed                      
          shell DFT gradients also uses QFMM techniques.                        
          The Optimal Parameter FMM code will run at a                          
          comparable speed to a ordinary run doing all                          
          integrals for molecules about 15 Angstroms in                         
          size, and should run faster for 20 Angstroms or                       
          more.  See also the $FMM input.                                       
 SCHWRZ = a flag to activate use of the Schwarz inequality                      
          to predetermine small integrals.  There is no                         
          loss of accuracy when choosing this option, and                       
          there are appreciable time savings for bigger                         
          molecules.  Default=.TRUE. for over 5 atoms, or                       
          for direct SCF, and is .FALSE. otherwise.                             
 NINTMX = Maximum no. of integrals in a record block.                           
          (default=15000 for J or P file, =10000 for PK)                        
 NINTIC = Controls storage of integrals in memory, with                         
          any remaining integrals will be stored on disk.                       
          Caution: memory set aside for this parameter is                       
          unavailable to the quantum chemistry methods.                         
          Positive NINTIC indicate the number of integrals,                     
          negative the amount of memory used for integrals                      
          and labels (in words).                                                
          At present NINTIC works robustly for RHF, ROHF,                       
          or UHF, is thought to work for GVB or MCSCF and                       
          mostly works for sequential MP2 as well.  Direct                      
          SCF does not use this option!  (default=0).                           
   Various antiquated or antediluvian parameters follow:                        
 NOPK   = 0 PK integral option on, which is permissible                         
            for RHF, UHF, ROHF, GVB energy/gradient runs.                       
        = 1 PK option off (default for all jobs).                               
            Must be off for anything with a transformation.                     
 NORDER = 0 (default)                                                           
        = 1 Sort integrals into canonical order.  There                         
            is little point in selecting this option, as                        
            no part of GAMESS requires ordered integrals.                       
            See also NSQUAR through NOMEM.                                      
 NSQUAR = 0 Sorted integrals will be in triangular                              
            canonical order (default)                                           
        = 1 instead sort to square canonical order.                             
 NDAR   = Number of direct access logical records to be                         
          used for the integral sort (default=2000)                             
 LDAR   = Length of direct access records (site dependent)                      
 NBOXMX =  200   Maximum number of bins.                                        
 NWORD  =    0   Memory to be used (default=all of it).                         
 NOMEM  =    0   If non-zero, force external sort.                              
   The following parameters control integral restarts.                          
      IST=JST=KST=LST=1   NREC=1    INTLOC=1                                    
Values shown are defaults, and mean not restarting.                             

generated on 7/7/2017