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Changed normalization in PT2
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@ -789,7 +789,8 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
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! Gram-Schmidt using input overlap matrix
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! Gram-Schmidt using input overlap matrix
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do istate=1,N_states
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do istate=1,N_states
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do jstate=1,istate-1
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do jstate=1,istate-1
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coef(istate) = coef(istate) - pt2_overlap(istate,jstate)/(1.d0+pt2_overlap(jstate,jstate)) * coef(jstate)
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if ( (pt2_overlap(istate,jstate) == 0.d0).or.(pt2_overlap(jstate,jstate) == 0.d0) ) cycle
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coef(istate) = coef(istate) - pt2_overlap(istate,jstate)/pt2_overlap(jstate,jstate) * coef(jstate)
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enddo
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enddo
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enddo
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enddo
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