CAS-CI with no vvvv

src/casscf/NEED

@@ -0,0 +1,3 @@
+cipsi
+selectors_full
+generators_cas 

src/casscf/README.rst

@@ -0,0 +1,5 @@
+======
+casscf
+======
+
+|CASSCF| program with the CIPSI algorithm.

src/casscf/casscf.irp.f

@@ -0,0 +1,14 @@
+program casscf_new
+  implicit none
+  BEGIN_DOC
+! TODO : Put the documentation of the program here
+  END_DOC
+  no_vvvv_integrals = .True.
+  SOFT_TOUCH no_vvvv_integrals
+  call run
+end
+
+subroutine run
+  implicit none
+  call run_cipsi
+end

src/casscf/class.irp.f

@@ -0,0 +1,12 @@
+ BEGIN_PROVIDER [ logical, do_only_1h1p ]
+&BEGIN_PROVIDER [ logical, do_only_cas  ]
+&BEGIN_PROVIDER [ logical, do_ddci ]
+ implicit none
+ BEGIN_DOC
+ ! In the CAS case, all those are always false except do_only_cas
+ END_DOC
+ do_only_cas  = .True.
+ do_only_1h1p = .False.
+ do_ddci = .False.
+END_PROVIDER
+

src/cipsi/selection.irp.f

@@ -683,6 +683,16 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
       if( sum(abs(mat(1:N_states, p1, p2))) == 0d0) cycle
       call apply_particles(mask, s1, p1, s2, p2, det, ok, N_int)
 
+      if (do_only_cas) then
+        integer, external :: number_of_holes, number_of_particles
+        if (number_of_particles(det)>0) then
+          cycle
+        endif
+        if (number_of_holes(det)>0) then
+          cycle
+        endif
+      endif
+
       if (do_ddci) then
         logical, external  :: is_a_two_holes_two_particles
         if (is_a_two_holes_two_particles(det)) then

src/fci/class.irp.f

@@ -1,10 +1,12 @@
  BEGIN_PROVIDER [ logical, do_only_1h1p ]
+&BEGIN_PROVIDER [ logical, do_only_cas  ]
 &BEGIN_PROVIDER [ logical, do_ddci ]
  implicit none
  BEGIN_DOC
  ! In the FCI case, all those are always false
  END_DOC
  do_only_1h1p = .False.
+ do_only_cas  = .False.
  do_ddci = .False.
 END_PROVIDER