Merge branch 'ft--opt-dislloop' into development

src/elements.f90

@@ -3,6 +3,7 @@ module elements
     !This module contains the elements data structures, structures needed for building regions
     !and operations that are done on elements
     use parameters
+    use functions
     use subroutines
     implicit none
 
@@ -373,4 +374,26 @@ module elements
         return
     end subroutine rhombshape
 
+    subroutine delete_atoms(num, index)
+        !This subroutine deletes atoms from the atom arrays 
+        integer, intent(in) :: num
+        integer, intent(inout), dimension(num) :: index
+
+        integer :: i, j
+
+        call heapsort(index)
+
+        !We go from largest index to smallest index just to make sure that we don't miss 
+        !accidentally overwrite values which need to be deleted
+        do i = num, 1, -1
+            if(index(i) == atom_num) then 
+                r_atom(:,index(i)) = 0.0_dp
+                type_atom(index(i)) = 0
+            else
+                r_atom(:,index(i)) = r_atom(:, atom_num)
+                type_atom(index(i)) = type_atom(atom_num)
+            end if            
+            atom_num = atom_num - 1
+        end do 
+    end subroutine
 end module elements