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commit
c8060d6ff9
@ -7,6 +7,7 @@ double precision function diag_S_mat_elem(key_i,Nint)
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integer(bit_kind), intent(in) :: key_i(Nint,2)
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integer(bit_kind), intent(in) :: key_i(Nint,2)
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BEGIN_DOC
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BEGIN_DOC
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! Returns <i|S^2|i>
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! Returns <i|S^2|i>
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! returns <i|S_+ S_-|i> = <i|S^2|i> - S_z*(S_z-1)
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END_DOC
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END_DOC
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integer :: nup, i
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integer :: nup, i
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integer(bit_kind) :: xorvec(N_int_max)
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integer(bit_kind) :: xorvec(N_int_max)
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@ -33,7 +34,7 @@ subroutine get_s2(key_i,key_j,Nint,s2)
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implicit none
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implicit none
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use bitmasks
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use bitmasks
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BEGIN_DOC
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BEGIN_DOC
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! Returns $\langle S^2 \rangle - S_z^2 S_z$
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! Returns $\langle S^2 \rangle - (S_z^2-S_z)$
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END_DOC
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END_DOC
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integer, intent(in) :: Nint
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integer, intent(in) :: Nint
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integer(bit_kind), intent(in) :: key_i(Nint,2)
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integer(bit_kind), intent(in) :: key_i(Nint,2)
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@ -42,7 +42,7 @@ end
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subroutine run_complex
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subroutine run_complex
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implicit none
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implicit none
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integer :: i
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integer :: i,j
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complex*16 :: i_h_psi_array(n_states)
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complex*16 :: i_h_psi_array(n_states)
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double precision :: e(n_states)
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double precision :: e(n_states)
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double precision :: norm(n_states)
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double precision :: norm(n_states)
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