From 06254d1a482ce3abebd7aebc3071cce45733e2dd Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Sun, 1 Jul 2012 15:55:37 -0400
Subject: [PATCH] Removed atom_percent attribute from Material derived type.

---
 src/initialize.F90      | 16 +++++++---------
 src/input_xml.F90       | 11 +++++------
 src/material_header.F90 |  1 -
 3 files changed, 12 insertions(+), 16 deletions(-)

diff --git a/src/initialize.F90 b/src/initialize.F90
index 9b4fbdccfe..6de01f6153 100644
--- a/src/initialize.F90
+++ b/src/initialize.F90
@@ -608,7 +608,7 @@ contains
     do i = 1, n_materials
        mat => materials(i)
 
-       percent_in_atom = (mat % atom_percent(1) > ZERO)
+       percent_in_atom = (mat % atom_density(1) > ZERO)
        density_in_atom = (mat % density > ZERO)
 
        sum_percent = ZERO
@@ -621,15 +621,15 @@ contains
           ! by awr. thus, when a sum is done over the values, it's actually
           ! sum(w/awr)
           if (.not. percent_in_atom) then
-             mat % atom_percent(j) = -mat % atom_percent(j) / awr
+             mat % atom_density(j) = -mat % atom_density(j) / awr
           end if
        end do
 
        ! determine normalized atom percents. if given atom percents, this is
        ! straightforward. if given weight percents, the value is w/awr and is
        ! divided by sum(w/awr)
-       sum_percent = sum(mat % atom_percent)
-       mat % atom_percent = mat % atom_percent / sum_percent
+       sum_percent = sum(mat % atom_density)
+       mat % atom_density = mat % atom_density / sum_percent
 
        ! Change density in g/cm^3 to atom/b-cm. Since all values are now in atom
        ! percent, the sum needs to be re-evaluated as 1/sum(x*awr)
@@ -638,7 +638,7 @@ contains
           do j = 1, mat % n_nuclides
              index_list = dict_get_key(xs_listing_dict, mat % names(j))
              awr = xs_listings(index_list) % awr
-             x = mat % atom_percent(j)
+             x = mat % atom_density(j)
              sum_percent = sum_percent + x*awr
           end do
           sum_percent = ONE / sum_percent
@@ -646,10 +646,8 @@ contains
                / MASS_NEUTRON * sum_percent
        end if
 
-       ! Calculate nuclide atom densities and deallocate atom_percent array
-       ! since it is no longer needed past this point
-       mat % atom_density = mat % density * mat % atom_percent
-       deallocate(mat % atom_percent)
+       ! Calculate nuclide atom densities
+       mat % atom_density = mat % density * mat % atom_density
     end do
 
   end subroutine normalize_ao
diff --git a/src/input_xml.F90 b/src/input_xml.F90
index 2b56d2fd70..c29c87b2b9 100644
--- a/src/input_xml.F90
+++ b/src/input_xml.F90
@@ -720,7 +720,6 @@ contains
        allocate(mat % names(n))
        allocate(mat % nuclide(n))
        allocate(mat % atom_density(n))
-       allocate(mat % atom_percent(n))
 
        do j = 1, mat % n_nuclides
           ! Combine nuclide identifier and cross section and copy into names
@@ -777,23 +776,23 @@ contains
 
           ! Copy atom/weight percents
           if (nuc % ao /= ZERO) then
-             mat % atom_percent(j) = nuc % ao
+             mat % atom_density(j) = nuc % ao
           else
-             mat % atom_percent(j) = -nuc % wo
+             mat % atom_density(j) = -nuc % wo
           end if
        end do
 
        ! Check to make sure either all atom percents or all weight percents are
        ! given
-       if (.not. (all(mat % atom_percent > ZERO) .or. & 
-            all(mat % atom_percent < ZERO))) then
+       if (.not. (all(mat % atom_density > ZERO) .or. & 
+            all(mat % atom_density < ZERO))) then
           message = "Cannot mix atom and weight percents in material " // &
                to_str(mat % id)
           call fatal_error()
        end if
 
        ! Determine density if it is a sum value
-       if (sum_density) mat % density = sum(mat % atom_percent)
+       if (sum_density) mat % density = sum(mat % atom_density)
 
        ! =======================================================================
        ! READ AND PARSE <sab> TAG FOR S(a,b) DATA
diff --git a/src/material_header.F90 b/src/material_header.F90
index 822052fd8c..dc1ae4a35a 100644
--- a/src/material_header.F90
+++ b/src/material_header.F90
@@ -13,7 +13,6 @@ module material_header
      integer, allocatable :: nuclide(:)      ! index in nuclides array
      real(8)              :: density         ! total atom density in atom/b-cm
      real(8), allocatable :: atom_density(:) ! nuclide atom density in atom/b-cm
-     real(8), allocatable :: atom_percent(:) ! atom/weight percent (negative for weight)
 
      ! S(a,b) data references
      logical       :: has_sab_table = .false.