Trap linear dependencies in basis set

src/AO_Basis/ao_overlap.irp.f

@@ -60,7 +60,6 @@
   enddo
   !$OMP END PARALLEL DO
 
-  ! Check for linear dependencies in the basis set
 END_PROVIDER
 
 

src/MOGuess/guess_overlap.irp.f

@@ -4,6 +4,7 @@ program guess_mimi
   END_DOC
   implicit none
   character*(64)                 :: label
+
   mo_coef = ao_ortho_lowdin_coef
   TOUCH mo_coef
   label = "Guess"

src/Utils/LinearAlgebra.irp.f

@@ -82,8 +82,8 @@ subroutine ortho_lowdin(overlap,LDA,N,C,LDC,m)
 
   !$OMP DO
   do i=1,n
-    if ( D(i) < 1.d-6 ) then
-      D(i) = 0.d0
+    if ( D(i) < 1.d-12 ) then
+      stop 'Linear dependence in basis set'
     else
       D(i) = 1.d0/dsqrt(D(i))
     endif