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fix reg in MP2
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@ -81,7 +81,7 @@ subroutine G0F2(BSE,TDA,dBSE,dTDA,evDyn,singlet,triplet,linearize,eta,regularize
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! Print results
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call MP2(nBas,nC,nO,nV,nR,ERI,ENuc,EHF,eGF2,Ec)
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call MP2(regularize,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,eGF2,Ec)
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call print_G0F2(nBas,nO,eHF,SigC,eGF2,Z,ENuc,ERHF,Ec)
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! Perform BSE2 calculation
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@ -104,7 +104,7 @@ subroutine evGF2(BSE,TDA,dBSE,dTDA,evDyn,maxSCF,thresh,max_diis,singlet,triplet,
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! Print results
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call MP2(nBas,nC,nO,nV,nR,ERI,ENuc,EHF,eGF2,Ec)
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call MP2(regularize,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,eGF2,Ec)
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call print_evGF2(nBas,nO,nSCF,Conv,eHF,SigC,Z,eGF2,ENuc,ERHF,Ec)
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! DIIS extrapolation
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@ -220,7 +220,7 @@ subroutine qsGF2(maxSCF,thresh,max_diis,BSE,TDA,dBSE,dTDA,evDyn,singlet,triplet,
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! Correlation energy
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call MP2(nBas,nC,nO,nV,nR,ERI_MO,ENuc,EqsGF2,eGF2,Ec)
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call MP2(regularize,nBas,nC,nO,nV,nR,ERI_MO,ENuc,EqsGF2,eGF2,Ec)
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! Total energy
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