subroutine prepot
c
c   $RCSfile: prepot.f,v $ $Revision: 1.3 $
c   $Date: 89/08/07 09:11:24 $
c   $State: Stable $
c
c

 
c            P U R P O S E   O F    S U B R O U T I N E
 
*deck potbo
c
c  this deck potbo contains:
c            the interface routine pot
c                       vbase adjusts the energy zero
c                       convr converts internuclear distances to a
c                       convv converts potential values to kcal.mol
c                       r are internucl. distances in the order rac,rab,rbc
c                       vv is the output potential value in desired units
c            the routine prepot for reading potential parameters
c            the routine potbo for calculating bo potentials
c               as a function of rab,rbc,rac (in a). it returns as v the
c               value of the potential in kcalmol. the energy zero is set
c               at total dissociation.
c           the soubroutine pol3 for calculating the bo polynomial
c
c
 
c <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
 

      implicit  none

c            L O G I C A L S
      

c            I N T E G E R S
       

      integer ke, nt, i, iexp, jexp, kexp,ie,je

c            R E A L S
      
	  real*8 de1, de2, de3, re1, re2, re3, b1, b2, b3, cof,
     >   a11, a12, a13, a21, a22, a23, a31, a32, a33, 
     >   a14, a24, a34, coef, pg 
     >   

c            D I M E N S I O N S

      dimension coef(65),iexp(65),jexp(65),kexp(65)

c            C O M M O N S
      common/b21/ de1,de2,de3,re1,re2,re3
     >   ,b1,b2,b3
      common/b23/cof(65),ie(65),je(65),ke(65),nt
      common/b22/a11,a12,a13,a21,a22,a23,a31,a32,a33
     >   ,a14,a24,a34
      common/b25/ pg

c            I N T R I N S I C    F U N C T I O N S
c            E X T E R N A L S
       data coef /
     *  0.1046546d+04,  0.6041740d+03,  0.4203070d+03, -0.1349205d+04,
     * -0.3248449d+03, -0.1097326d+04, -0.7902607d+03, -0.1262961d+04,
     * -0.5112102d+03, -0.1446229d+03,  0.6956992d+03,  0.1587417d+04,
     * -0.1675520d+04,  0.8526413d+03,  0.5228272d+03,  0.7727870d+03,
     *  0.2121133d+04,  0.1090760d+04,  0.6315115d+02,  0.1851443d+03,
     *  0.4547308d+02,  0.1704061d+03, -0.1625348d+03, -0.3074558d+03,
     * -0.7383861d+03,  0.1750511d+04, -0.2350221d+03, -0.7683703d+03,
     * -0.4342706d+03, -0.2941487d+03, -0.1569613d+04, -0.8162239d+03,
     *  0.9306138d+03, -0.1007101d+03, -0.1514158d+03, -0.1738752d+03,
     * -0.5171799d+03, -0.1152083d+02,  0.4385045d+02, -0.5360226d+01,
     *  0.1823785d+01, -0.1471057d+03,  0.1173729d+03,  0.1115220d+03,
     * -0.4845248d+03,  0.1004951d+01,  0.4434655d+03,  0.5675508d+03,
     * -0.4708619d+02,  0.3294440d+02,  0.4012600d+03,  0.2076121d+03,
     * -0.8350344d+03, -0.4439566d+03,  0.1763602d+03,  0.4160904d+02,
     *  0.7297960d+02,  0.5640212d+03,  0.9578297d+02, -0.4226320d+02,
     * -0.1588994d+00, -0.1090934d+03,  0.1695968d+02, -0.1066076d+02,
     *  0.1237160d+02/
       data iexp/
     * 1, 1, 0, 2, 1, 2, 1, 0, 1, 0, 3, 2, 1, 3, 2, 1, 0, 2, 1, 0,
     * 1, 0, 4, 3, 2, 1, 4, 3, 2, 1, 0, 3, 2, 1, 0, 2, 1, 0, 1, 0,
     * 5, 4, 3, 2, 1, 5, 4, 3, 2, 1, 0, 4, 3, 2, 1, 0, 3, 2, 1, 0,
     * 2, 1, 0, 1, 0/
       data jexp/
     * 1, 0, 1, 1, 2, 0, 1, 2, 0, 1, 1, 2, 3, 0, 1, 2, 3, 0, 1, 2,
     * 0, 1, 1, 2, 3, 4, 0, 1, 2, 3, 4, 0, 1, 2, 3, 0, 1, 2, 0, 1,
     * 1, 2, 3, 4, 5, 0, 1, 2, 3, 4, 5, 0, 1, 2, 3, 4, 0, 1, 2, 3,
     * 0, 1, 2, 0, 1/
       data kexp/
     * 0, 1, 1, 0, 0, 1, 1, 1, 2, 2, 0, 0, 0, 1, 1, 1, 1, 2, 2, 2,
     * 3, 3, 0, 0, 0, 0, 1, 1, 1, 1, 1, 2, 2, 2, 2, 3, 3, 3, 4, 4,
     * 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3,
     * 4, 4, 4, 5, 5/
    2 format(i2)
    3 format(e15.7,3i3)
c
      pg=3.1415926536d0
c
c   dissociation energies
       de1=137.59d0
       de2=141.20d0
       de3=58.d0
c
c   b parameters
c
       b1=.970755d0
       b2=2.194185
       b3=1.17086
c
c   equilibrium distances
      re1=1.563864d0
      re2=0.916808d0
      re3=1.5957d0
c
c    diatomic parameters
       a11=2.30439d0
       a12=-2.30172d0
       a13=1.69028d0
       a14=-.69295d0
       a21=2.07810d0
       a22=-1.25667d0
       a23=0.27905d0
       a24=-0.10047d0
       a31=2.15123d0
       a32=-1.38219d0
       a33=0.31067d0
       a34=-.07972d0
c
       nt=65
      do 10 i=1,nt
      cof(i)=coef(i)
      ie(i)=1+iexp(i)
      je(i)=1+jexp(i)
      ke(i)=1+kexp(i)
c     write(6,*)'prepot', cof(i),ie(i),je(i),ke(i)
   10 continue
      return
      end