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Merge branch 'dev' into cleaning_dft
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900e010395
@ -523,15 +523,15 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2_data, pt2_data_
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! 1/(N-1.5) : see Brugger, The American Statistician (23) 4 p. 32 (1969)
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if(c > 2) then
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eqt = dabs((pt2_data_S2(t) % pt2(pt2_stoch_istate) / c) - (pt2_data_S(t) % pt2(pt2_stoch_istate)/c)**2) ! dabs for numerical stability
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eqt = sqrt(eqt / (dble(c) - 1.5d0))
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eqt = dsqrt(eqt / (dble(c) - 1.5d0))
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pt2_data_err % pt2(pt2_stoch_istate) = eqt
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eqt = dabs((pt2_data_S2(t) % variance(pt2_stoch_istate) / c) - (pt2_data_S(t) % variance(pt2_stoch_istate)/c)**2) ! dabs for numerical stability
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eqt = sqrt(eqt / (dble(c) - 1.5d0))
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eqt = dsqrt(eqt / (dble(c) - 1.5d0))
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pt2_data_err % variance(pt2_stoch_istate) = eqt
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eqta(:) = dabs((pt2_data_S2(t) % overlap(:,pt2_stoch_istate) / c) - (pt2_data_S(t) % overlap(:,pt2_stoch_istate)/c)**2) ! dabs for numerical stability
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eqta(:) = sqrt(eqta(:) / (dble(c) - 1.5d0))
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eqta(:) = dsqrt(eqta(:) / (dble(c) - 1.5d0))
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pt2_data_err % overlap(:,pt2_stoch_istate) = eqta(:)
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@ -842,9 +842,8 @@ END_PROVIDER
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do t=1, pt2_N_teeth
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tooth_width = tilde_cW(pt2_n_0(t+1)) - tilde_cW(pt2_n_0(t))
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if (tooth_width == 0.d0) then
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tooth_width = sum(tilde_w(pt2_n_0(t):pt2_n_0(t+1)))
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tooth_width = max(1.d-15,sum(tilde_w(pt2_n_0(t):pt2_n_0(t+1))))
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endif
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ASSERT(tooth_width > 0.d0)
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do i=pt2_n_0(t)+1, pt2_n_0(t+1)
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pt2_w(i) = tilde_w(i) * pt2_W_T / tooth_width
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end do
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@ -1550,7 +1550,7 @@ subroutine bitstring_to_list_in_selection( 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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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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@ -1179,7 +1179,7 @@ subroutine bitstring_to_list_in_selection( 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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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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