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moved a subroutine from determinant to bitmask
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@ -268,6 +268,21 @@ subroutine print_spindet(string,Nint)
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end
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subroutine print_det_one_dimension(string,Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Subroutine to print the content of a determinant using the '+-' notation
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END_DOC
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integer, intent(in) :: Nint
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integer(bit_kind), intent(in) :: string(Nint)
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character*(2048) :: output(1)
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call bitstring_to_str( output(1), string, Nint )
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print *, trim(output(1))
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end
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logical function is_integer_in_string(bite,string,Nint)
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use bitmasks
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implicit none
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@ -438,7 +438,7 @@ subroutine bitstring_to_list_ab( string, list, n_elements, Nint)
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use bitmasks
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implicit none
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BEGIN_DOC
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! Gives the inidices(+1) of the bits set to 1 in the bit string
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! Gives the indices(+1) of the bits set to 1 in the bit string
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! For alpha/beta determinants.
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END_DOC
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integer, intent(in) :: Nint
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@ -472,6 +472,35 @@ subroutine bitstring_to_list_ab( string, list, n_elements, Nint)
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end
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!subroutine bitstring_to_list( string, list, n_elements, Nint)
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! use bitmasks
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! implicit none
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! BEGIN_DOC
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! ! Gives the indices(+1) of the bits set to 1 in the bit string
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! END_DOC
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! integer, intent(in) :: Nint
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! integer(bit_kind), intent(in) :: string(Nint)
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! integer, intent(out) :: list(Nint*bit_kind_size)
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! integer, intent(out) :: n_elements
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!
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! integer :: i, j, ishift
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! integer(bit_kind) :: l
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!
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! n_elements = 0
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! ishift = 1
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! do i=1,Nint
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! l = string(i)
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! do while (l /= 0_bit_kind)
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! j = trailz(l)
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! n_elements = n_elements + 1
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! l = ibclr(l,j)
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! list(n_elements) = ishift+j
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! enddo
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! ishift = ishift + bit_kind_size
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! enddo
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!
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!end
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subroutine i_H_j_s2(key_i,key_j,Nint,hij,s2)
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use bitmasks
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