10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00

Fixed travis

This commit is contained in:
Anthony Scemama 2017-04-12 16:07:29 +02:00
parent 6469a6547f
commit 7af4c3705b
3 changed files with 7 additions and 7 deletions

View File

@ -677,7 +677,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
! endif ! endif
if (do_ddci) then if (do_ddci) then
integer, external :: is_a_two_holes_two_particles logical, external :: is_a_two_holes_two_particles
if (is_a_two_holes_two_particles(det)) then if (is_a_two_holes_two_particles(det)) then
cycle cycle
endif endif

View File

@ -1,6 +1,6 @@
! DO NOT MODIFY BY HAND ! DO NOT MODIFY BY HAND
! Created by $QP_ROOT/scripts/ezfio_interface/ei_handler.py ! Created by $QP_ROOT/scripts/ezfio_interface/ei_handler.py
! from file /ccc/work/cont003/gen1738/scemama/quantum_package/src/mrcc_selected/EZFIO.cfg ! from file /panfs/panasas/cnt0024/cpq1738/scemama/workdir/quantum_package/src/mrcc_selected/EZFIO.cfg
BEGIN_PROVIDER [ double precision, thresh_dressed_ci ] BEGIN_PROVIDER [ double precision, thresh_dressed_ci ]

View File

@ -628,7 +628,7 @@ subroutine get_all_spin_singles_and_doubles(buffer, idx, spindet, Nint, size_buf
select case (Nint) select case (Nint)
case (1) case (1)
call get_all_spin_singles_and_doubles_1(buffer, idx, spindet, size_buffer, singles, doubles, n_singles, n_doubles) call get_all_spin_singles_and_doubles_1(buffer, idx, spindet(1), size_buffer, singles, doubles, n_singles, n_doubles)
return return
! case (2) ! case (2)
! call get_all_spin_singles_and_doubles_2(buffer, idx, spindet, size_buffer, singles, doubles, n_singles, n_doubles) ! call get_all_spin_singles_and_doubles_2(buffer, idx, spindet, size_buffer, singles, doubles, n_singles, n_doubles)
@ -711,7 +711,7 @@ subroutine get_all_spin_singles(buffer, idx, spindet, Nint, size_buffer, singles
select case (Nint) select case (Nint)
case (1) case (1)
call get_all_spin_singles_1(buffer, idx, spindet, size_buffer, singles, n_singles) call get_all_spin_singles_1(buffer, idx, spindet(1), size_buffer, singles, n_singles)
return return
case (2) case (2)
call get_all_spin_singles_2(buffer, idx, spindet, size_buffer, singles, n_singles) call get_all_spin_singles_2(buffer, idx, spindet, size_buffer, singles, n_singles)
@ -787,7 +787,7 @@ subroutine get_all_spin_doubles(buffer, idx, spindet, Nint, size_buffer, doubles
select case (Nint) select case (Nint)
case (1) case (1)
call get_all_spin_doubles_1(buffer, idx, spindet, size_buffer, doubles, n_doubles) call get_all_spin_doubles_1(buffer, idx, spindet(1), size_buffer, doubles, n_doubles)
return return
case (2) case (2)
call get_all_spin_doubles_2(buffer, idx, spindet, size_buffer, doubles, n_doubles) call get_all_spin_doubles_2(buffer, idx, spindet, size_buffer, doubles, n_doubles)
@ -1111,8 +1111,8 @@ subroutine get_all_spin_doubles_2(buffer, idx, spindet, size_buffer, doubles, n_
! unique alpha determinants. ! unique alpha determinants.
! !
END_DOC END_DOC
integer, intent(in) :: size_buffer integer, intent(in) :: size_buffer, idx(size_buffer)
integer(bit_kind), intent(in) :: buffer(2,size_buffer), idx(size_buffer) integer(bit_kind), intent(in) :: buffer(2,size_buffer)
integer(bit_kind), intent(in) :: spindet(2) integer(bit_kind), intent(in) :: spindet(2)
integer, intent(out) :: doubles(size_buffer) integer, intent(out) :: doubles(size_buffer)
integer, intent(out) :: n_doubles integer, intent(out) :: n_doubles