Merge lp:~nickpapior/siesta/4.1-nl-fix into lp:~albertog/siesta/4.1-nl

[Nick Papior]

Fixed variable allocation and initialization of the new array holding KB projector information on the local node.

[Alberto Garcia (albertog)]

OK

review: Approve

=== modified file 'Src/atomlist.f'
--- Src/atomlist.f	2016-10-10 15:22:12 +0000
+++ Src/atomlist.f	2016-11-03 18:59:47 +0000
@@ -106,7 +106,7 @@
       call re_alloc( qa, 1, na_u, 'qa', 'atomlist' )
       call re_alloc(xa_last,1,3,1,na_u,'xa_last','atomlist')
       call re_alloc( amass, 1, na_u, 'amass', 'atomlist' )
-      call re_alloc( in_kb_orb_u_range, 1, na_u, 'amass', 'atomlist' )
+      call re_alloc( in_kb_orb_u_range, 1, na_u, 'in_kb', 'atomlist' )
 !
 !     Find number of orbitals and KB projectors in cell
 !
@@ -239,8 +239,8 @@
         call re_alloc( iza, 1, na, 'iza', 'atomlist', .true. )
         call re_alloc( lastkb, 0, na, 'lastkb', 'atomlist', .true. )
         call re_alloc( lasto, 0, na, 'lasto', 'atomlist', .true. )
-        call re_alloc( in_kb_orb_u_range, 0, na,
-     $                 'lasto', 'atomlist', .true. )
+        call re_alloc( in_kb_orb_u_range, 1, na,
+     $                 'in_kb', 'atomlist', .true. )
         call re_alloc( qa, 1, na, 'qa', 'atomlist', .true. )
         call re_alloc( xa, 1, 3, 1, na, 'xa', 'atomlist', .true. )
         call re_alloc(xa_last, 1,3, 1,na, 'xa_last', 'superc',
 
=== modified file 'Src/hsparse.F'
--- Src/hsparse.F	2016-10-10 15:22:12 +0000
+++ Src/hsparse.F	2016-11-03 18:59:47 +0000
@@ -211,9 +211,11 @@
       do io = 1,no
         conect(io) = .false.
         listhtmp(io) = 0
-        in_kb_orb_u_range(ka) = .false.
       enddo
-
+      do ia = 1 , na
+         in_kb_orb_u_range(ia) = .false.
+      end do
+      
       folding = .false.
 
 C------------------------------------C
 
=== modified file 'version.info'
--- version.info	2016-10-10 15:22:12 +0000
+++ version.info	2016-11-03 18:59:47 +0000
@@ -1,2 +1,2 @@
-siesta-4.1--587--nl-1
+siesta-4.1--587--nl-1--nrp-1