Fixed small bugs

src/casscf/casscf.irp.f

@@ -3,8 +3,8 @@ program casscf
   BEGIN_DOC
 ! TODO : Put the documentation of the program here
   END_DOC
-  no_vvvv_integrals = .True.
-  SOFT_TOUCH no_vvvv_integrals
+!  no_vvvv_integrals = .True.
+!  SOFT_TOUCH no_vvvv_integrals
   call run
 end
 
@@ -13,6 +13,7 @@ subroutine run
   double precision               :: energy_old, energy
   logical                        :: converged
   integer                        :: iteration
+  PROVIDE mo_two_e_integrals_in_map
   converged = .False.
 
   energy = 0.d0

src/casscf/neworbs.irp.f

@@ -25,7 +25,7 @@ BEGIN_PROVIDER [real*8, SXmatrix, (nMonoEx+1,nMonoEx+1)]
   end do
   
   if (bavard) then
-    do i=2,nMonoEx+1
+    do i=2,nMonoEx
       write(6,*) ' diagonal of the Hessian : ',i,hessmat2(i,i)
     end do
   end if
@@ -77,14 +77,14 @@ END_PROVIDER
   
   energy_improvement = SXeigenval(best_vector)
   
+  c0=SXeigenvec(1,best_vector)
+
   if (bavard) then
     write(6,*) ' SXdiag : eigenvalue for best overlap with '
     write(6,*) '  previous orbitals = ',SXeigenval(best_vector)
     write(6,*) ' weight of the 1st element ',c0
   endif
 
-  c0=SXeigenvec(1,best_vector)
-
   do i=1,nMonoEx+1
     SXvector(i)=SXeigenvec(i,best_vector)/c0
   end do