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minor change to complex integral maps
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@ -364,18 +364,17 @@ subroutine ao_two_e_integral_periodic_map_idx_sign(i,j,k,l,use_map1,idx,sign)
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!
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!
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!
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!
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! for <ab|cd>, conditionals are [a<c, b<d, ac<bd]
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! for <ab|cd>, conditionals are [a<c, b<d, ac<bd]
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! last three rows are real (ab==cd)
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! last two rows are real (ab==cd)
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! | | <ij|kl> | <ji|lk> | <kl|ij> | <lk|ji> | <kj|il> | <jk|li> | <il|kj> | <li|jk> |
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! | NEW | <ij|kl> | <ji|lk> | <kl|ij> | <lk|ji> | <kj|il> | <jk|li> | <il|kj> | <li|jk> |
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! | | m1 | m1* | m2 | m2* |
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! | | m1 | m1* | m2 | m2* |
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! | <ij|kl> | TTT | TTF | FFT | FFF | FTT | TFF | TFT | FTF |
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! | <ij|kl> | TTT | TTF | FFT | FFF | FTT | TFF | TFT | FTF |
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! | <ij|il> | 0TT | T0F | 0FT | F0F | | | | |
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! | <ij|il> | 0TT | T0F | 0FT | F0F | | | | |
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! | <ij|kj> | T0T | 0TF | F0T | 0FF | | | | |
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! | <ij|kj> | T0T | 0TF | F0T | 0FF | | | | |
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! | <ii|jj> | | | | | TT0 | | FF0 | |
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! | <ii|jj> | TT0 | | FF0 | | FT0(r) | TF0(r) | | |
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! | <ji|ij> | FT0 | TF0 | | | | | | |
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! | <ij|ij> | 00T | 00F | | | | | | |
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! | <ij|ij> | 00T | 00F | | | | | | |
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! | <ii|ii> | 000 | | | | | | | |
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! | <ii|ii> | 000 | | | | | | | |
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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! +---------+---------+---------+---------+---------+---------+---------+---------+---------+
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@ -396,17 +395,21 @@ subroutine ao_two_e_integral_periodic_map_idx_sign(i,j,k,l,use_map1,idx,sign)
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idx = 2*idx-1
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idx = 2*idx-1
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if (ij==kl) then !real, map1
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if (ij==kl) then !real, J -> map1, K -> map2
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sign=0.d0
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sign=0.d0
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use_map1=.True.
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if (i==k) then
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use_map1=.True.
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else
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use_map1=.False.
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endif
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else
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else
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if (ik.eq.jl) then
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if (ik.eq.jl) then
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if (i.lt.k) then !TT0
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if (i.lt.k) then !TT0
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sign=1.d0
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sign=1.d0
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use_map1=.False.
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use_map1=.True.
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else !FF0
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else !FF0
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sign=-1.d0
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sign=-1.d0
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use_map1=.False.
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use_map1=.True.
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endif
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endif
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else if (i.eq.k) then
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else if (i.eq.k) then
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if (j.lt.l) then !0T*
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if (j.lt.l) then !0T*
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