diff --git a/el_nuc_el.irp.f b/el_nuc_el.irp.f index bf2f5ad..4f2eabb 100644 --- a/el_nuc_el.irp.f +++ b/el_nuc_el.irp.f @@ -19,15 +19,16 @@ BEGIN_PROVIDER [double precision, factor_een] c_inv = 1.d0/c do p = 2, ncord x = 1.d0 -! t0 = x* c** (rshift(p,1)) -! t = t0 do k = 0, p - 1 if ( k /= 0 ) then lmax = p - k else lmax = p - k - 2 end if - t = x* c** (rshift(p - k,1)) + t = x + do l=1,rshift(p - k,1) + t = t*c + end do ! We have suppressed this if from the following loop: ! if ( iand(p - k - l, 1) == 0 ) then ! @@ -40,7 +41,6 @@ BEGIN_PROVIDER [double precision, factor_een] y = a z = b endif -! print *, '' do l = iand(p-k,1), lmax, 2 ! if (iand(p-k-l,1) == 0) then factor_een = factor_een + cord_vect(l, k, p, alpha) * (y+z) * t @@ -50,7 +50,6 @@ BEGIN_PROVIDER [double precision, factor_een] end do x = x * u end do -! t0 = t0*c_inv end do end do end do diff --git a/jastrow b/jastrow index 68c28b5..1ec717a 100755 Binary files a/jastrow and b/jastrow differ