C
C $Id: printpar.F,v 1.2 1998/07/16 16:40:23 jjv5 Exp $
C
C------------------------------------------------------------------------
      subroutine printpar

      implicit double precision(a-h,o-z)
#include "divcon.dim"
#include "divcon.h"

      logical prt, nottaken
      dimension nottaken(83), kind(83)

      nkind = 0
      do k=1,83
         nottaken(k) = .true.
      enddo
      do i=1,natoms
         k = iatnum(i)
         if (nottaken(k)) then
            nottaken(k) = .false.
            nkind = nkind + 1
            kind(nkind) = k
         endif
      enddo
      call bsort1(nkind,kind)

C-RDC       write(iout,'(/" PARAMETERS FOR THE SEMI-EMPIRICAL CALCULATION:",
C-RDC      &     /" ---------------------------------------------")')
      do ii=1,nkind
         i = kind(ii)
         if (i.eq.1) then
C-RDC             write(iout,'(/" DATA FOR HYDROGEN:")')
            prt = .true.
         elseif (i.eq.3) then
C-RDC             write(iout,'(/"DATA FOR LITHIUM:")')
            prt = .true.
         elseif (i.eq.4) then
C-RDC             write(iout,'(/" DATA FOR BERYLLIUM:")')
            prt = .true.
         elseif (i.eq.5) then
C-RDC             write(iout,'(/" DATA FOR BORON:")')
            prt = .true.
         elseif (i.eq.6) then
C-RDC             write(iout,'(/" DATA FOR CARBON:")')
            prt = .true.
         elseif (i.eq.7) then
C-RDC             write(iout,'(/" DATA FOR NITROGEN:")')
            prt = .true.
         elseif (i.eq.8) then
C-RDC             write(iout,'(/" DATA FOR OXYGEN:")')
            prt = .true.
         elseif (i.eq.9) then
C-RDC             write(iout,'(/" DATA FOR FLUORINE:")')
            prt = .true.
         elseif (i.eq.11) then
C-RDC             write(iout,'(/" DATA FOR SODIUM-LIKE SPARKLE:")')
            prt = .true.
         elseif (i.eq.12) then
C-RDC             write(iout,'(/" DATA FOR MAGNESIUM:")')
            prt = .true.
         elseif (i.eq.13) then
C-RDC             write(iout,'(/" DATA FOR ALUMINUM:")')
            prt = .true.
         elseif (i.eq.14) then
C-RDC             write(iout,'(/" DATA FOR SILICON:")')
            prt = .true.
         elseif (i.eq.15) then
C-RDC             write(iout,'(/" DATA FOR PHOSPHORUS:")')
            prt = .true.
         elseif (i.eq.16) then
C-RDC             write(iout,'(/" DATA FOR SULFUR:")')
            prt = .true.
         elseif (i.eq.17) then
C-RDC             write(iout,'(/" DATA FOR CHLORINE:")')
            prt = .true.
         elseif (i.eq.30) then
C-RDC             write(iout,'(/" DATA FOR ZINC:")')
            prt = .true.
         elseif (i.eq.31) then
C-RDC             write(iout,'(/" DATA FOR GALLIUM:")')
            prt = .true.
         elseif (i.eq.32) then
C-RDC             write(iout,'(/" DATA FOR GERMANIUM:")')
            prt = .true.
         elseif (i.eq.33) then
C-RDC             write(iout,'(/" DATA FOR ARSENIC:")')
            prt = .true.
         elseif (i.eq.34) then
C-RDC             write(iout,'(/" DATA FOR SELENIUM:")')
            prt = .true.
         elseif (i.eq.35) then
C-RDC             write(iout,'(/" DATA FOR BROMIDE:")')
            prt = .true.
         elseif (i.eq.48) then
C-RDC             write(iout,'(/" DATA FOR CADMIUM:")')
            prt = .true.
         elseif (i.eq.49) then
C-RDC             write(iout,'(/" DATA FOR INDIUM:")')
            prt = .true.
         elseif (i.eq.50) then
C-RDC             write(iout,'(/" DATA FOR TIN:")')
            prt = .true.
         elseif (i.eq.51) then
C-RDC             write(iout,'(/" DATA FOR ANTIMONY:")')
            prt = .true.
         elseif (i.eq.52) then
C-RDC             write(iout,'(/" DATA FOR TELLURIUM:")')
            prt = .true.
         elseif (i.eq.53) then
C-RDC             write(iout,'(/" DATA FOR IODINE:")')
            prt = .true.
         elseif (i.eq.80) then
C-RDC             write(iout,'(/" DATA FOR MERCURY:")')
            prt = .true.
         elseif (i.eq.81) then
C-RDC             write(iout,'(/" DATA FOR THALLIUM:")')
            prt = .true.
         elseif (i.eq.82) then
C-RDC             write(iout,'(/" DATA FOR LEAD:")')
            prt = .true.
         elseif (i.eq.83) then
C-RDC             write(iout,'(/" DATA FOR BISMUTH:")')
            prt = .true.
         else
C-RDC             write(iout,'(/" UNKNOWN ATOM TYPE #",I4,/)') I
            prt = .false.
         endif

         if (prt) then

            do j=0,2
C-RDC                write(iout, '("  UCORE(",i2,",",i2,")",2x,"=",
C-RDC      &              2x,E20.10)') j,i,ucore(j,i)
            enddo
            do j=0,2
C-RDC                write(iout,'("  EXPNT(",i2,",",i2,")",2x,"=",
C-RDC      &              2x,E20.10)') j,i,expnt(j,i)
            enddo
            do j=0,2
C-RDC                write(iout,'("  AL(",i2,",",i2,")",5x,"=",
C-RDC      &              2x,E20.10)') j,i,al(j,i)
            enddo
            do j=0,2
C-RDC                write(iout,'("  BETA(",i2,",",i2,")",3x,"=",
C-RDC      &              2x,E20.10)') j,i,beta(j,i)
            enddo
            do j=1,2
C-RDC                write(iout,'("  DL(",i2,",",i2,")",5x,"=",
C-RDC      &              2x,E20.10)') j,i,dl(j,i)
            enddo
            if (am1) then
               do j=1,4
C-RDC                   write(iout,'("  AGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,agaus(j,i)
               enddo
               do j=1,4
C-RDC                   write(iout,'("  BGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,bgaus(j,i)
               enddo
               do j=1,4
C-RDC                   write(iout,'("  CGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,cgaus(j,i)
               enddo
            elseif (pm3) then
               do j=1,2
C-RDC                   write(iout,'("  AGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,agaus(j,i)
               enddo
               do j=1,2
C-RDC                   write(iout,'("  BGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,bgaus(j,i)
               enddo
               do j=1,2
C-RDC                   write(iout,'("  CGAUS(",i2,",",i2,")",2x,"=",
C-RDC      &                 2x,E20.10)') j,i,cgaus(j,i)
               enddo
            endif
C-RDC             write(iout,'("  GSS(",i2,")",7x,"=",2x,E20.10,
C-RDC      &           /"  GPP(",i2,")",7x,"=",2x,E20.10,
C-RDC      &           /"  GSP(",i2,")",7x,"=",2x,E20.10,
C-RDC      &           /"  GP2(",i2,")",7x,"=",2x,E20.10,
C-RDC      &           /"  HSP(",i2,")",7x,"=",2x,E20.10,
C-RDC      &           /"  ACORE(",i2,")",5x,"=",2x,E20.10,
C-RDC      &           /"  EEATM(",i2,")",5x,"=",2x,E20.10,
C-RDC      &           /"  HFATM(",i2,")",5x,"=",2x,E20.10)')
C-RDC      &           i, gss(i), i, gpp(i), i, gsp(i), i, gp2(i), i, hsp(i),
C-RDC      &           i, acore(i), i, eeatm(i), i, hfatm(i)

         endif
      enddo
C-RDC       write(iout,'(/" BARRIER HEIGHT (eV) FOR PEPTIDE TORSION:",
C-RDC      &     /"  EPEPMX",8x,"=",2x,E20.10)') epepmx

      end