$MAKEFP group            (relevant if RUNTYP=MAKEFP)                            
    This group controls generation of the effective                             
fragment potential (EFP2 style) from the wavefunction of a                      
single monomer.  EFP generation is allowed for SCFTYP=RHF                       
and ROHF.  Multipole moments for electrostatics are always                      
generated, and the default for the keywords below is to                         
generate all additional terms.                                                  
FRAG   = a string of up to 8 letters to identify this EFP.                      
         For example, WATER or BENZENE or CH3OH or ...                          
         (default=FRAGNAME, which you can hand edit later)                      
SCREEN = a flag to generate screening information for the                       
         multipole electrostatics, and maybe polarizability                     
         screening.  See $DAMP and $DAMPGS.                                     
         (default=.TRUE. for RHF, so far ROHF is not coded)                     
POL    = a flag to generate dipole polarizabilities.                            
See POLNUM in $LOCAL for an alternative way to generate the                     
polarizabilities, which may be faster for large molecules.                      
EXREP  = a flag to generate exchange repulsion parameters.                      
CHTR   = a flag to generate charge transfer parameters.                         
         (default=.TRUE. for RHF, so far ROHF is not coded)                     
CTVVO  = a flag to specify what type of charge transfer                         
         data is generated.  (default=.TRUE.)                                   
         .FALSE. means all canonical virtuals are used.                         
         .TRUE. means Valence Virtual Orbitals will be                          
         created, by forcing VVOS in $SCF is forced on.                         
         The VVOs are many fewer in number, so the charge                       
         transfer calculation is greatly accelerated.                           
DISP   = a flag to generate information for dispersion.                         
         (default=.TRUE. for RHF, so far ROHF is not coded)                     
DISP7   = a flag to generate data for the 1/r^7 dispersion                      
          term (default=.TRUE.).  This creates the EFP term                     
          'DIPOLE-QUADRUPOLE DYNAMIC POLARIZABLE POINTS'                        
   See also similar inputs NOPOL, NOEXREP, NOCHTR, NODISP                       
in the $EFRAG input group, to ignore these terms if they                        
are generated.                                                                  

generated on 7/7/2017