--- trunk/OOPSE/libmdtools/calc_LJ_FF.F90	2003/07/16 21:30:56	626
+++ trunk/OOPSE/libmdtools/calc_LJ_FF.F90	2004/01/30 15:01:09	999
@@ -2,7 +2,7 @@
 !! Corresponds to the force field defined in lj_FF.cpp 
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: calc_LJ_FF.F90,v 1.10 2003-07-16 21:30:54 mmeineke Exp $, $Date: 2003-07-16 21:30:54 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $
+!! @version $Id: calc_LJ_FF.F90,v 1.16 2004-01-30 15:01:09 chrisfen Exp $, $Date: 2004-01-30 15:01:09 $, $Name: not supported by cvs2svn $, $Revision: 1.16 $
 
 module lj
   use definitions
@@ -92,7 +92,9 @@ contains
     
     status = 0
 
-    LJ_rcut = rcut
+!    LJ_rcut = rcut
+    ! ATTENTION! This is a hardwiring of rcut!
+    LJ_rcut = 9.0d0
     haveCut = .true.
 
     if (havePolicy) then
@@ -131,6 +133,7 @@ contains
 
     rcut6 = LJ_rcut**6
 
+! This loops through all atypes, even those that don't support LJ forces.
     do i = 1, nAtypes
 
        call getElementProperty(atypes, i, "lj_epsilon", myEpsilon_i)
@@ -138,11 +141,13 @@ contains
        ! do self mixing rule
        ljMixed(i,i)%sigma   = mySigma_i
        
-       ljMixed(i,i)%sigma6  = (ljMixed(i,i)%sigma) ** 6                                                                                                  
-       ljMixed(i,i)%tp6     = ljMixed(i,i)%sigma6/rcut6
+       ljMixed(i,i)%sigma6  = (ljMixed(i,i)%sigma) ** 6
 
+       ljMixed(i,i)%tp6     = (ljMixed(i,i)%sigma6)/rcut6
+
        ljMixed(i,i)%tp12    = (ljMixed(i,i)%tp6) ** 2
 
+
        ljMixed(i,i)%epsilon = myEpsilon_i
 
        ljMixed(i,i)%delta = -4.0_DP * ljMixed(i,i)%epsilon * &
@@ -190,7 +195,7 @@ contains
     integer, intent(in) ::  atom1, atom2
     real( kind = dp ), intent(in) :: rij, r2
     real( kind = dp ) :: pot
-    real( kind = dp ), dimension(3,getNlocal()) :: f    
+    real( kind = dp ), dimension(3,nLocal) :: f    
     real( kind = dp ), intent(in), dimension(3) :: d
     logical, intent(in) :: do_pot, do_stress
 
@@ -206,7 +211,6 @@ contains
     real( kind = dp ) :: delta
     integer :: id1, id2
 
-
     if (rij.lt.LJ_rcut)  then
 
        ! Look up the correct parameters in the mixing matrix
@@ -315,7 +319,7 @@ contains
     
     if (present(status)) status = 0
     select case (LJ_Mixing_Policy)
-    case (LB_MIXING_RULE)
+    case (1)
        select case (thisParam)
        case ("sigma")
           myMixParam = 0.5_dp * (param1 + param2)