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fixed problem with 2e int mapping
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a632b6af56
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@ -346,7 +346,16 @@ subroutine ao_two_e_integral_periodic_map_idx_sign(i,j,k,l,use_map1,idx,sign)
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sign=-1.d0
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sign=-1.d0
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use_map1=.True.
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use_map1=.True.
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endif
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endif
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else if (iltk.eqv.ikltjl) then
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else if (iltk.eqv.jltl) then
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if (iltk) then
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sign=1.d0
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use_map1=.True.
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else
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sign=-1.d0
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use_map1=.True.
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endif
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else
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if (jltl.eqv.ikltjl) then
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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=.False.
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else
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else
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@ -354,6 +363,7 @@ subroutine ao_two_e_integral_periodic_map_idx_sign(i,j,k,l,use_map1,idx,sign)
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use_map1=.False.
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use_map1=.False.
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endif
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endif
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endif
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endif
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endif
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end
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end
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complex*16 function get_ao_two_e_integral_periodic_simple(i,j,k,l,map,map2) result(result)
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complex*16 function get_ao_two_e_integral_periodic_simple(i,j,k,l,map,map2) result(result)
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