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fix RPAx
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@ -220,7 +220,7 @@ subroutine rCCD(dotest,maxSCF,thresh,max_diis,nBasin,nCin,nOin,nVin,nRin,ERI,ENu
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! EE-EOM-CCD (1h1p)
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! EE-EOM-CCD (1h1p)
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if(do_EE_EOM_CC_1h1p) call EE_EOM_CCD_1h1p(nC,nO,nV,nR,eO,eV,OOVV,OVVO,t)
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! if(do_EE_EOM_CC_1h1p) call EE_EOM_CCD_1h1p(nC,nO,nV,nR,eO,eV,OOVV,OVVO,t)
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if(dotest) then
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if(dotest) then
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@ -94,12 +94,8 @@ subroutine phRRPAx(dotest,TDA,doACFDT,exchange_kernel,singlet,triplet,nBas,nC,nO
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end if
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end if
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if(exchange_kernel) then
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EcRPA(1) = 0.5d0*EcRPA(1)
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EcRPA(2) = 1.5d0*EcRPA(2)
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EcRPA(1) = 0.5d0*EcRPA(1)
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EcRPA(2) = 1.5d0*EcRPA(2)
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end if
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write(*,*)
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write(*,*)
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write(*,*)'-------------------------------------------------------------------------------'
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write(*,*)'-------------------------------------------------------------------------------'
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