Simplified non-blas

el_nuc_el.irp.f

@@ -10,9 +10,8 @@ BEGIN_PROVIDER [ double precision, factor_een ]
   double precision               :: f(nnuc,0:ncord-2,0:ncord-2)
   double precision               :: tmp_c(nelec,nnuc,0:ncord,0:ncord-1)
 
-  factor_een = factor_een_blas
+!  factor_een = factor_een_blas
-  return
+!  return
-
 
  factor_een = 0.0d0
 
@@ -31,13 +30,13 @@ BEGIN_PROVIDER [ double precision, factor_een ]
        do a = 1, nnuc
          accu2 = 0.d0
          cn = cord_vect_lkp(l, k, p, typenuc_arr(a))
-             do j = 2, nelec
+         do j = 1, nelec
            accu = 0.d0
-                do i = 1, j-1
+           do i = 1, nelec
-                   accu = accu + rescale_een_e(i,j,k) * &
+             accu = accu +                                           &
-                    rescale_een_n(i,a,m) * rescale_een_n(j,a,m+l) + &
                  rescale_een_e(i,j,k) *                              &
-                    rescale_een_n(i,a,m+l) * rescale_een_n(j,a,m)
+                 rescale_een_n(i,a,m) *                              &
+                 rescale_een_n(j,a,m+l)
            enddo
            accu2 = accu2 + accu
          enddo