Remove if in loop

Makefile

@@ -1,4 +1,4 @@
-IRPF90 = ~/irpf90/bin/irpf90 --codelet factor_een:100
+IRPF90 = ~/irpf90/bin/irpf90 --codelet factor_een:200
 #FC = gfortran
 #FCFLAGS= -g -msse4.2  -fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant -Wuninitialized  -fbacktrace -ffpe-trap=zero,overflow,underflow -finit-real=nan
 FC     = ifort -g

el_nuc_el.irp.f

@@ -4,34 +4,53 @@ BEGIN_PROVIDER [double precision, factor_een]
  ! Electron-electron nucleus contribution to Jastrow factor
  END_DOC
  integer :: i, j, alpha, p, k, l, lmax = 0
- double precision :: x, y, z, t, t_inv
+ double precision :: x, y, z, t, c_inv, u, a, b, a2, b2, c, t0
  factor_een = 0.0d0
 
  do alpha = 1, nnuc
     do j = 1, nelec
+       b = rescale_een_n(j, alpha)
        do i = 1, nelec
-        t_inv = 1.d0/(rescale_een_n(i, alpha) * rescale_een_n(j, alpha))
+        u = rescale_een_e(i,j)
+        a = rescale_een_n(i, alpha)
+        a2 = a*a
+        b2 = b*b
+        c = rescale_een_n(i, alpha) * rescale_een_n(j, alpha)
+        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
+              if ( k /= 0 ) then
-                 lmax = p - k - 2
-              else
                  lmax = p - k
+              else
+                 lmax = p - k - 2
               end if
-              y = 1.d0
+              t = x* c** (rshift(p - k,1))
-              z = 1.d0
+              ! We have suppressed this if from the following loop:
-              t = (rescale_een_n(i, alpha) * rescale_een_n(j, alpha)) ** (rshift(p - k,1))
+              ! if ( iand(p - k - l, 1) == 0 ) then
-              do l = 0, lmax
+              !
-                 if ( iand(p - k - l, 1) == 0 ) then
+              ! Start from l=0 when p-k is even
-                    factor_een = factor_een + cord_vect(l, k, p, alpha) * x * (y+z) * t
+              ! Start from l=1 when p-k is odd
-                    t = t * t_inv
+              if (iand(p-k,1) == 0) then
-                 end if
+                y = 1.d0
-                 y = y * rescale_een_n(i, alpha)
+                z = 1.d0
-                 z = z * rescale_een_n(j, alpha)
+              else
+                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
+                 t = t * c_inv
+                 y = y * a2
+                 z = z * b2
               end do
-              x = x * rescale_een_e(i, j)
+              x = x * u
            end do
+!           t0 = t0*c_inv
         end do
        end do
     end do