2014-06-02 19:35:42 +02:00
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double precision function repeat_all_e_corr(key_in)
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implicit none
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integer(bit_kind), intent(in) :: key_in(N_int,2)
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integer :: i,degree
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double precision :: accu
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use bitmasks
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accu = 0.d0
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call get_excitation_degree(key_in,ref_bitmask,degree,N_int)
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if(degree==2)then
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do i = 1, N_det_selectors
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call get_excitation_degree(ref_bitmask,psi_selectors(1,1,i),degree,N_int)
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if(degree.ne.2)cycle
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call get_excitation_degree(key_in,psi_selectors(1,1,i),degree,N_int)
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if (degree<=3)cycle
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accu += E_corr_per_selectors(i)
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enddo
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elseif(degree==1)then
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do i = 1, N_det_selectors
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call get_excitation_degree(ref_bitmask,psi_selectors(1,1,i),degree,N_int)
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if(degree.ne.2)cycle
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call get_excitation_degree(key_in,psi_selectors(1,1,i),degree,N_int)
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if (degree<=2)cycle
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accu += E_corr_per_selectors(i)
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enddo
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endif
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repeat_all_e_corr = accu
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end
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2014-08-16 16:06:27 +02:00
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