mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-25 13:53:49 +01:00
140 lines
3.3 KiB
Fortran
140 lines
3.3 KiB
Fortran
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subroutine create_selection_buffer(N, siz_, res)
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use selection_types
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implicit none
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integer, intent(in) :: N, siz_
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type(selection_buffer), intent(out) :: res
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integer :: siz
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siz = max(siz_,1)
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allocate(res%det(N_int, 2, siz), res%val(siz))
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res%val(:) = 0d0
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res%det(:,:,:) = 0_8
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res%N = N
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res%mini = 0d0
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res%cur = 0
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end subroutine
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subroutine delete_selection_buffer(b)
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use selection_types
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implicit none
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type(selection_buffer), intent(inout) :: b
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if (associated(b%det)) then
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deallocate(b%det)
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endif
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if (associated(b%val)) then
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deallocate(b%val)
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endif
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end
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subroutine add_to_selection_buffer(b, det, val)
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use selection_types
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implicit none
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type(selection_buffer), intent(inout) :: b
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integer(bit_kind), intent(in) :: det(N_int, 2)
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double precision, intent(in) :: val
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integer :: i
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if(b%N > 0 .and. val <= b%mini) then
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b%cur += 1
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b%det(1:N_int,1:2,b%cur) = det(1:N_int,1:2)
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b%val(b%cur) = val
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if(b%cur == size(b%val)) then
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call sort_selection_buffer(b)
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end if
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end if
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end subroutine
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subroutine merge_selection_buffers(b1, b2)
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use selection_types
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implicit none
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BEGIN_DOC
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! Merges the selection buffers b1 and b2 into b2
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END_DOC
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type(selection_buffer), intent(inout) :: b1
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type(selection_buffer), intent(inout) :: b2
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integer(bit_kind), pointer :: detmp(:,:,:)
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double precision, pointer :: val(:)
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integer :: i, i1, i2, k, nmwen
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if (b1%cur == 0) return
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do while (b1%val(b1%cur) > b2%mini)
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b1%cur = b1%cur-1
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if (b1%cur == 0) then
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return
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endif
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enddo
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nmwen = min(b1%N, b1%cur+b2%cur)
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allocate( val(size(b1%val)), detmp(N_int, 2, size(b1%det,3)) )
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i1=1
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i2=1
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do i=1,nmwen
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if ( (i1 > b1%cur).and.(i2 > b2%cur) ) then
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exit
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else if (i1 > b1%cur) then
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val(i) = b2%val(i2)
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detmp(1:N_int,1,i) = b2%det(1:N_int,1,i2)
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detmp(1:N_int,2,i) = b2%det(1:N_int,2,i2)
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i2=i2+1
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else if (i2 > b2%cur) then
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val(i) = b1%val(i1)
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detmp(1:N_int,1,i) = b1%det(1:N_int,1,i1)
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detmp(1:N_int,2,i) = b1%det(1:N_int,2,i1)
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i1=i1+1
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else
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if (b1%val(i1) <= b2%val(i2)) then
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val(i) = b1%val(i1)
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detmp(1:N_int,1,i) = b1%det(1:N_int,1,i1)
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detmp(1:N_int,2,i) = b1%det(1:N_int,2,i1)
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i1=i1+1
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else
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val(i) = b2%val(i2)
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detmp(1:N_int,1,i) = b2%det(1:N_int,1,i2)
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detmp(1:N_int,2,i) = b2%det(1:N_int,2,i2)
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i2=i2+1
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endif
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endif
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enddo
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deallocate(b2%det, b2%val)
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do i=nmwen+1,b2%N
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val(i) = 0.d0
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detmp(1:N_int,1:2,i) = 0_bit_kind
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enddo
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b2%det => detmp
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b2%val => val
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b2%mini = min(b2%mini,b2%val(b2%N))
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b2%cur = nmwen
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end
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subroutine sort_selection_buffer(b)
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use selection_types
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implicit none
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type(selection_buffer), intent(inout) :: b
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integer, allocatable :: iorder(:)
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integer(bit_kind), pointer :: detmp(:,:,:)
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integer :: i, nmwen
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logical, external :: detEq
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if (b%N == 0 .or. b%cur == 0) return
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nmwen = min(b%N, b%cur)
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allocate(iorder(b%cur), detmp(N_int, 2, size(b%det,3)))
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do i=1,b%cur
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iorder(i) = i
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end do
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call dsort(b%val, iorder, b%cur)
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do i=1, nmwen
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detmp(1:N_int,1,i) = b%det(1:N_int,1,iorder(i))
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detmp(1:N_int,2,i) = b%det(1:N_int,2,iorder(i))
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end do
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deallocate(b%det,iorder)
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b%det => detmp
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b%mini = min(b%mini,b%val(b%N))
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b%cur = nmwen
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end subroutine
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