mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-14 16:48:32 +02:00
Fixed travis
This commit is contained in:
parent
6469a6547f
commit
7af4c3705b
@ -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
|
||||||
|
@ -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 ]
|
||||||
|
@ -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
|
||||||
|
Loading…
Reference in New Issue
Block a user