mirror of
https://github.com/LCPQ/quantum_package
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83 lines
1.8 KiB
Fortran
83 lines
1.8 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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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 (allocated(b%det)) then
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deallocate(b%det)
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endif
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if (allocated(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(dabs(val) >= b%mini) then
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b%cur += 1
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b%det(:,:,b%cur) = det(:,:)
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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 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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double precision, allocatable :: vals(:), absval(:)
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integer, allocatable :: iorder(:)
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integer(bit_kind), allocatable :: detmp(:,:,:)
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integer :: i, nmwen
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logical, external :: detEq
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nmwen = min(b%N, b%cur)
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allocate(iorder(b%cur), detmp(N_int, 2, nmwen), absval(b%cur), vals(nmwen))
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absval = -dabs(b%val(:b%cur))
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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(absval, iorder, b%cur)
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do i=1, nmwen
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detmp(:,:,i) = b%det(:,:,iorder(i))
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vals(i) = b%val(iorder(i))
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end do
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b%det(:,:,:nmwen) = detmp(:,:,:)
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b%det(:,:,nmwen+1:) = 0_bit_kind
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b%val(:nmwen) = vals(:)
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b%val(nmwen+1:) = 0d0
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b%mini = max(b%mini,dabs(b%val(b%N)))
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b%cur = nmwen
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end subroutine
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