$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.
         (default=.TRUE.)
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.
         (default=.TRUE.)
 
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.
 
 
52 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.