Almost functional version. Need correct Cord

.gitignore

@@ -2,4 +2,5 @@ IRPF90_temp/
 IRPF90_man/
 irpf90.make
 irpf90_entities
-tags
+tags
+*.mod

el_nuc_el.irp.f

@@ -0,0 +1,32 @@
+BEGIN_PROVIDER [double precision, factor_een]
+ implicit none
+ BEGIN_DOC
+ ! Electron-electron nucleus contribution to Jastrow factor
+ END_DOC
+ integer :: i, j, alpha, p, k, l, lmax = 0
+ factor_een = 0.0d0
+ 
+ do alpha = 1, nnuc
+    do j = 1, nelec
+       do i = 1, nelec
+        do p = 2, ncord
+           do k = p - 1, 0
+              if ( k == 0 ) then
+                 lmax = p - k - 2
+              else
+                 lmax = p - k
+              end if
+              do l = lmax, 0
+                 if ( mod(p - k - l, 2) == 0 ) then
+                    factor_een = factor_een + cord_vect(p, k, l) * rescale_een_e(i, j) ** k &
+                         * (rescale_een_n(i, alpha) ** l + rescale_een_n(j, alpha) ** l) *  &
+                         (rescale_een_n(i, alpha) * rescale_een_n(j, alpha)) ** ((p - k - l) * 0.5d0)
+                 end if
+              end do
+           end do
+        end do
+       end do
+    end do
+ end do
+
+END_PROVIDER

electrons.irp.f

@@ -43,6 +43,10 @@ BEGIN_PROVIDER [double precision, factor_ee]
  BEGIN_DOC
  ! Electron-electron contribution to Jastrow factor
  END_DOC
+ integer :: i, j
+ double precision :: pow_ser = 0.0d0
+ factor_ee = 0.0d0
+
  do j = 1 , nelec
     do i = 1, nelec
        do p = 2, nbord

jastrow.irp.f

@@ -1,8 +1,6 @@
 program jastrow
   implicit none
-  print *, elec_coord
+  print *, 'The total Jastrow factor'
-  print *, ''
+  print *, dexp(factor_ee + factor_en + factor_een)
-  print *, elec_dist
+
-  print *, ''
-  print *, rescale_ee
 end program

nuclei.irp.f

@@ -44,7 +44,9 @@ BEGIN_PROVIDER [double precision, factor_en]
  ! Electron-nuclei contribution to Jastrow factor
  END_DOC
  integer :: i, j, p
- double precision :: pow_ser
+ double precision :: pow_ser = 0.0d0
+ factor_en = 0.0d0
+
  do j = 1 , nnuc
     do i = 1, nnuc
        do p = 2, naord

orders.irp.f

@@ -45,7 +45,7 @@ END_PROVIDER
 BEGIN_PROVIDER [double precision, cord_vect, (ncord)]
  implicit none
  BEGIN_DOC
- ! Vector of the `b' coefficients
+ ! Vector of the `c' coefficients
  END_DOC
  do i = 1, ncord 
     call random_number(cord_vect)

rescale.irp.f

@@ -11,13 +11,13 @@ BEGIN_PROVIDER [ double precision, kappa_inv ]
  BEGIN_DOC
  ! inverse of kappa
  END_DOC
- kappa_inv = 1.d0/kappa
+ kappa_inv = 1.d0 / kappa
 END_PROVIDER
 
 BEGIN_PROVIDER [ double precision, rescale_ee, (nelec, nelec) ]
  implicit none
  BEGIN_DOC
- ! R = (1 - exp(-kappa r))/kappa for electron-electron
+ ! R = (1 - exp(-kappa r))/kappa for electron-electron for $J_{ee}$
  END_DOC
  integer :: i, j
  do j=1,nelec
@@ -30,12 +30,38 @@ END_PROVIDER
 BEGIN_PROVIDER [ double precision, rescale_en, (nelec, nnuc) ]
  implicit none
  BEGIN_DOC
- ! R = (1 - exp(-kappa r))/kappa for electron-nucleus
+ ! R = (1 - exp(-kappa r))/kappa for electron-nucleus for $J_{en}$
  END_DOC
  integer :: i, j
  do j = 1, nnuc
    do i = 1, nelec
-     rescale_en(i,j) = (1.d0 - dexp(-kappa * elnuc_dist(i,j))) * kappa_inv
+     rescale_en(i, j) = (1.d0 - dexp(-kappa * elnuc_dist(i, j))) * kappa_inv
+   enddo
+ enddo
+END_PROVIDER
+
+BEGIN_PROVIDER [double precision, rescale_een_e, (nelec, 3)]
+ implicit none
+ BEGIN_DOC
+ ! R = exp(-kappa r) for electron-electron for $J_{een}$
+ END_DOC
+ integer :: i, j
+ do j = 1, nelec
+   do i = 1, nelec
+     rescale_een_e(i, j) = dexp(-kappa * elec_dist(i, j))
+   enddo
+ enddo
+END_PROVIDER
+
+BEGIN_PROVIDER [double precision, rescale_een_n, (nnuc, 3)]
+ implicit none
+ BEGIN_DOC
+ ! R = exp(-kappa r) for electron-electron for $J_{een}$
+ END_DOC
+ integer :: i, j
+ do j = 1, nnuc
+   do i = 1, nelec
+      rescale_een_n(i, j) = dexp(-kappa * elnuc_dist(i, j))
    enddo
  enddo
 END_PROVIDER