c version e93: add gregs SPF routine for chain relaxation c EAM version b91: add FPI forces and potential by calling FPIforce c C THIS SUBROUTINE COMPUTES THE FORCES by calling GAGAFE for each type of c interaction. SUBROUTINE POTINIT() implicit real*8 (a-h,o-z) include 'commonblks/parameters.cmn' include 'commonblks/combaths.cmn' include 'commonblks/comgeom.cmn' include 'commonblks/comconf.cmn' include 'commonblks/comenergy.cmn' include 'commonblks/comenperat.cmn' include 'commonblks/compotent.cmn' include 'commonblks/comluns.cmn' include 'commonblks/comintlis.cmn' common /unscale/RALOCAL(MAXCOO) c ----------------------------------------------------------------------- c Defining the parameters in potpar manually (for Al-Al only) initflag=1 IPOT=1 ISAME=1 indf1=11 iorderf=8 NATYPE=1 NATMS(2)=0 nncount=0 alpha=90 beta=90 gamma=90 IQKMIN=.false. nFPI=0 c Al Parameters rcut(1)=7.1 rcut2(1)=rcut(1)**2 rskin(1)=7.25 rskin2(1)=rskin(1)**2 potpar(1,1)=-0.60647886749203 potpar(2,1)=2294.3609145535 potpar(3,1)=3.0205380362464 potpar(4,1)=-192.06894637533 potpar(5,1)=1.5102690181232 potpar(6,1)=0.87928364657088 potpar(7,1)=3.3068828537934 potpar(8,1)=6.6137657075868 potpar(9,1)=6.0000000000000 potpar(10,1)=512.00000000000 potpar(11,1)=4.4572157051836 potpar(12,1)=193.21775368064 potpar(13,1)=-1173.6502684704 potpar(14,1)=4203.3500116196 potpar(15,1)=-8785.1680280827 potpar(16,1)=10632.994102532 potpar(17,1)=-6921.0410455328 potpar(18,1)=1875.2698365752 RETURN END