--- trunk/OOPSE/libmdtools/calc_eam.F90	2004/05/24 22:24:30	1195
+++ trunk/OOPSE/libmdtools/calc_eam.F90	2004/05/27 00:48:12	1198
@@ -251,16 +251,16 @@ contains
     integer, intent(out) :: status
 
 #ifdef IS_MPI
-    integer :: nrow
-    integer :: ncol
+    integer :: nAtomsInRow
+    integer :: nAtomsInCol
 #endif
     integer :: alloc_stat
 
 
     status = 0
 #ifdef IS_MPI
-    nrow = getNrow(plan_row)
-    ncol = getNcol(plan_col)
+    nAtomsInRow = getNatomsInRow(plan_atom_row)
+    nAtomsInCol = getNatomsInCol(plan_atom_col)
 #endif
 
     if (allocated(frho)) deallocate(frho)
@@ -301,25 +301,25 @@ contains
 
 
     if (allocated(frho_row)) deallocate(frho_row)
-    allocate(frho_row(nrow),stat=alloc_stat)
+    allocate(frho_row(nAtomsInRow),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(rho_row)) deallocate(rho_row)
-    allocate(rho_row(nrow),stat=alloc_stat)
+    allocate(rho_row(nAtomsInRow),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(dfrhodrho_row)) deallocate(dfrhodrho_row)
-    allocate(dfrhodrho_row(nrow),stat=alloc_stat)
+    allocate(dfrhodrho_row(nAtomsInRow),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(d2frhodrhodrho_row)) deallocate(d2frhodrhodrho_row)
-    allocate(d2frhodrhodrho_row(nrow),stat=alloc_stat)
+    allocate(d2frhodrhodrho_row(nAtomsInRow),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
@@ -329,25 +329,25 @@ contains
 ! Now do column arrays
 
     if (allocated(frho_col)) deallocate(frho_col)
-    allocate(frho_col(ncol),stat=alloc_stat)
+    allocate(frho_col(nAtomsInCol),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(rho_col)) deallocate(rho_col)
-    allocate(rho_col(ncol),stat=alloc_stat)
+    allocate(rho_col(nAtomsInCol),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(dfrhodrho_col)) deallocate(dfrhodrho_col)
-    allocate(dfrhodrho_col(ncol),stat=alloc_stat)
+    allocate(dfrhodrho_col(nAtomsInCol),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
     end if
     if (allocated(d2frhodrhodrho_col)) deallocate(d2frhodrhodrho_col)
-    allocate(d2frhodrhodrho_col(ncol),stat=alloc_stat)
+    allocate(d2frhodrhodrho_col(nAtomsInCol),stat=alloc_stat)
     if (alloc_stat /= 0) then 
        status = -1
        return
@@ -567,12 +567,12 @@ contains
     cleanme = .true.
     !! Scatter the electron density from  pre-pair calculation back to local atoms
 #ifdef IS_MPI
-    call scatter(rho_row,rho,plan_row,eam_err)
+    call scatter(rho_row,rho,plan_atom_row,eam_err)
     if (eam_err /= 0 ) then
       write(errMsg,*) " Error scattering rho_row into rho"
       call handleError(RoutineName,errMesg)
    endif       
-    call scatter(rho_col,rho_tmp,plan_col,eam_err)
+    call scatter(rho_col,rho_tmp,plan_atom_col,eam_err)
     if (eam_err /= 0 ) then
       write(errMsg,*) " Error scattering rho_col into rho"
       call handleError(RoutineName,errMesg)
@@ -617,19 +617,19 @@ contains
 
 #ifdef IS_MPI
     !! communicate f(rho) and derivatives back into row and column arrays
-    call gather(frho,frho_row,plan_row, eam_err)
+    call gather(frho,frho_row,plan_atom_row, eam_err)
     if (eam_err /=  0) then
        call handleError("cal_eam_forces()","MPI gather frho_row failure")
     endif
-    call gather(dfrhodrho,dfrhodrho_row,plan_row, eam_err)
+    call gather(dfrhodrho,dfrhodrho_row,plan_atom_row, eam_err)
     if (eam_err /=  0) then
        call handleError("cal_eam_forces()","MPI gather dfrhodrho_row failure")
     endif
-    call gather(frho,frho_col,plan_col, eam_err)
+    call gather(frho,frho_col,plan_atom_col, eam_err)
     if (eam_err /=  0) then
        call handleError("cal_eam_forces()","MPI gather frho_col failure")
     endif
-    call gather(dfrhodrho,dfrhodrho_col,plan_col, eam_err)
+    call gather(dfrhodrho,dfrhodrho_col,plan_atom_col, eam_err)
     if (eam_err /=  0) then
        call handleError("cal_eam_forces()","MPI gather dfrhodrho_col failure")
     endif
@@ -639,8 +639,8 @@ contains
 
 
     if (nmflag) then
-       call gather(d2frhodrhodrho,d2frhodrhodrho_row,plan_row)
-       call gather(d2frhodrhodrho,d2frhodrhodrho_col,plan_col)
+       call gather(d2frhodrhodrho,d2frhodrhodrho_row,plan_atom_row)
+       call gather(d2frhodrhodrho,d2frhodrhodrho_col,plan_atom_col)
     endif
 #endif
 
@@ -816,8 +816,8 @@ contains
        
        vpair = vpair + phab
 #ifdef IS_MPI
-       id1 = tagRow(atom1)
-       id2 = tagColumn(atom2)
+       id1 = AtomRowToGlobal(atom1)
+       id2 = AtomColToGlobal(atom2)
 #else
        id1 = atom1
        id2 = atom2