Merge branch 'dev/prop' of https://code.ill.fr/relaxse/relaxse-code into dev/prop

src/spindetact.F90

@@ -550,13 +550,15 @@ contains
              tmp2(:) = 0
              iter1 = 0
              iter2 = 0
-             
+
+             !Iterate over the active det of list dlb
+             !Count the number of detb which connects with 1 or 2 differences 
              do idetb = 1, dlb%ndetcas
                 ndiff = count_diff(dla%elms(ideta),dlb%elms(idetb), o_info%nact)
-                if ((ndiff + deltaNel) .eq. 2) then
+                if ((ndiff + deltaNel) .eq. 2) then !CM1
                    iter1 = iter1 + 1
                    tmp1(iter1) = idetb
-                else if ((ndiff + deltaNel) .eq. 4) then
+                else if ((ndiff + deltaNel) .eq. 4) then !CM2
                    iter2 = iter2 + 1
                    tmp2(iter2) = idetb
                 endif
@@ -564,8 +566,10 @@ contains
              
              call vec_init(dla%connect1(idlb), ideta, iter1)
              call vec_init(dla%connect1orb(idlb), ideta, iter1)
+             !Store the list of detb connecting with 1 diff CM1(deta)
              if (iter1 .ne. 0) then
                 dla%connect1(idlb)%vl(ideta)%p%elms = tmp1(1:iter1)
+                !For each determinant connecting to deta, store the orbitals connecting in a type(connect) vec_storage.F90
                 do idet = 1, iter1
                    idetb = tmp1(idet)              
                    call fill_connect(dla%connect1orb(idlb)%vl(ideta)%p%elms(idet)%p, &
@@ -575,10 +579,12 @@ contains
              
              call vec_init(dla%connect2(idlb), ideta, iter2)
              call vec_init(dla%connect2orb(idlb), ideta, iter2)
+             !Store the list of detb connecting with 2 diff CM2(deta)
              if (iter2 .ne. 0) then
                 dla%connect2(idlb)%vl(ideta)%p%elms = tmp2(1:iter2)
                 do idet = 1, iter2
-                   idetb = tmp2(idet)              
+                   idetb = tmp2(idet)
+                   !For each determinant connecting to deta, store the orbitals connecting in a type(connect) vec_storage.F90
                    call fill_connect(dla%connect2orb(idlb)%vl(ideta)%p%elms(idet)%p, &
                         dla%elms(ideta), dlb%elms(idetb), no, nact)         
                 enddo
@@ -605,6 +611,9 @@ contains
   !> @param[in] nact Nb of active orbitals
   !> @param[out] nCM1 Nb of connecting detact
   !> @param[out] detCM1 Indices of the connecting detact in rj
+  !> @param[out] detCM1orb (optional) Array of connection information for each CM1
+  !! which contains diffi, diffj, spindiffi, spindiffj, sign_act, Ndiffact_I, Ndiffact_J, nandIJ,
+  !! andIJ(:), spinandIJ(:)
   !$==================================================================
   subroutine CM1_spindetact_list(ri, rj, idet, nact, nCM1, detCM1, detCM1orb)
     type(spindetact_list), intent(in) :: ri, rj