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https://github.com/LCPQ/quantum_package
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49 lines
1.3 KiB
Fortran
49 lines
1.3 KiB
Fortran
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! BEGIN_PROVIDER [ logical, do_dress_with_alpha ]
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!&BEGIN_PROVIDER [ logical, do_dress_with_alpha_buffer ]
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!&BEGIN_PROVIDER [ logical, do_dress_with_generator ]
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! implicit none
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! do_dress_with_alpha = .false.
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! do_dress_with_alpha_buffer = .true.
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! do_dress_with_generator = .false.
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!END_PROVIDER
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subroutine dress_with_alpha_buffer(delta_ij_loc, minilist, n_minilist, abuf, n_abuf)
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use bitmasks
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implicit none
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double precision,intent(inout) :: delta_ij_loc(N_states,N_det,2)
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integer, intent(in) :: n_minilist, n_abuf
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integer(bit_kind),intent(in) :: abuf(N_int, 2, n_abuf)
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integer :: minilist(n_minilist)
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integer :: a, i, nref, nobt, deg
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integer :: refc(N_det), testc(N_det)
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do a=1,n_abuf
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refc = 0
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testc = 0
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do i=1,N_det
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call get_excitation_degree(psi_det_sorted(1,1,i), abuf(1,1,a), deg, N_int)
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if(deg <= 2) refc(i) = refc(i) + 1
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end do
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do i=1,n_minilist
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call get_excitation_degree(psi_det_sorted(1,1,minilist(i)), abuf(1,1,a), deg, N_int)
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if(deg <= 2) then
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testc(minilist(i)) += 1
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else
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stop "NON LIKED"
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end if
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end do
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do i=1,N_det
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if(refc(i) /= testc(i)) then
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print *, "foir ", sum(refc), sum(testc), n_minilist
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exit
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end if
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end do
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end do
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delta_ij_loc = 1d0
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end subroutine
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