--- trunk/OOPSE/libmdtools/calc_eam.F90	2003/07/25 20:00:17	653
+++ trunk/OOPSE/libmdtools/calc_eam.F90	2003/07/30 21:17:01	657
@@ -114,9 +114,10 @@ contains
     integer                                :: alloc_stat
     integer                                :: current
     integer,pointer                        :: Matchlist(:) => null()
-    type (EAMtype), pointer                :: makeEamtype => null()
+
     status = 0
 
+    write(*,*) "Adding new eamtype: ",eam_ident
     !! Assume that atypes has already been set and get the total number of types in atypes
     !! Also assume that every member of atypes is a EAM model.
    
@@ -132,12 +133,11 @@ contains
     current = EAMList%currentAddition
     
 
-    call allocate_EAMType(eam_nrho,eam_nr,makeEamtype,stat=alloc_stat)
+    call allocate_EAMType(eam_nrho,eam_nr,EAMList%EAMParams(current),stat=alloc_stat)
     if (alloc_stat /= 0) then
        status = -1
        return
     end if
-    makeEamtype => EAMList%EAMParams(current)
 
     ! this is a possible bug, we assume a correspondence between the vector atypes and
     ! EAMAtypes
@@ -147,6 +147,7 @@ contains
     EAMList%EAMParams(current)%eam_nrho     = eam_nrho
     EAMList%EAMParams(current)%eam_drho     = eam_drho
     EAMList%EAMParams(current)%eam_nr       = eam_nr
+    EAMList%EAMParams(current)%eam_dr       = eam_dr
     EAMList%EAMParams(current)%eam_rcut     = rcut
     EAMList%EAMParams(current)%eam_Z_r      = eam_Z_r
     EAMList%EAMParams(current)%eam_rho_r    = eam_rho_r
@@ -163,28 +164,40 @@ contains
     integer :: alloc_stat
     integer :: number_r, number_rho
 
+    if (EAMList%currentAddition == 0) then
+       call handleError("init_EAM_FF","No members in EAMList")
+       status = -1
+       return
+    end if
 
 
+
        do i = 1, EAMList%currentAddition
-  
-          EAMList%EAMParams(i)%eam_rvals(1:EAMList%EAMParams(i)%eam_nr) = &
-               real(EAMList%EAMParams(i)%eam_nr,kind=dp)* &
-               EAMList%EAMParams(i)%eam_dr
 
-          EAMList%EAMParams(i)%eam_rhovals(1:EAMList%EAMParams(i)%eam_nrho) = &
-               real(EAMList%EAMParams(i)%eam_nrho,kind=dp)* &
-               EAMList%EAMParams(i)%eam_drho
+! Build array of r values
 
+          do j = 1,EAMList%EAMParams(i)%eam_nr
+             EAMList%EAMParams(i)%eam_rvals(j) = &
+                  real(j-1,kind=dp)* &
+                  EAMList%EAMParams(i)%eam_dr
+              end do
+! Build array of rho values
+          do j = 1,EAMList%EAMParams(i)%eam_nrho
+             EAMList%EAMParams(i)%eam_rhovals(j) = &
+                  real(j-1,kind=dp)* &
+                  EAMList%EAMParams(i)%eam_drho
+          end do
           ! convert from eV to kcal / mol:
           EAMList%EAMParams(i)%eam_F_rho = EAMList%EAMParams(i)%eam_F_rho * 23.06054E0_DP
 
           ! precompute the pair potential and get it into kcal / mol:
-          EAMList%EAMParams(i)%eam_phi_r = 0.0E0_DP
+          EAMList%EAMParams(i)%eam_phi_r(1) = 0.0E0_DP
           do j = 2, EAMList%EAMParams(i)%eam_nr
              EAMList%EAMParams(i)%eam_phi_r(j) = (EAMList%EAMParams(i)%eam_Z_r(j)**2)/EAMList%EAMParams(i)%eam_rvals(j)
              EAMList%EAMParams(i)%eam_phi_r(j) =  EAMList%EAMParams(i)%eam_phi_r(j)*331.999296E0_DP
           enddo
        end do
+       
 
        do i = 1,  EAMList%currentAddition
           number_r   = EAMList%EAMParams(i)%eam_nr
@@ -207,7 +220,8 @@ contains
                EAMList%EAMParams(i)%eam_phi_r_pp, &
                0.0E0_DP, 0.0E0_DP, 'N')
        enddo
-       
+
+
        current_rcut_max = EAMList%EAMParams(1)%eam_rcut
        !! find the smallest rcut for any eam atype
        do i = 2, EAMList%currentAddition 
@@ -371,7 +385,7 @@ contains
   subroutine allocate_EAMType(eam_n_rho,eam_n_r,thisEAMType,stat)
     integer, intent(in)          :: eam_n_rho
     integer, intent(in)          :: eam_n_r
-    type (EAMType), pointer      :: thisEAMType
+    type (EAMType)               :: thisEAMType
     integer, optional   :: stat
     integer             :: alloc_stat