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spin orbital parquet converging !
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@ -400,7 +400,6 @@ subroutine GParquet(max_it_1b,conv_1b,max_it_2b,conv_2b,nOrb,nC,nO,nV,nR,nS,eHF,
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! DIIS extrapolation !
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!--------------------!
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write(*,*) '----------------------------------------'
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write(*,*) ' Two-body (kernel) convergence '
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write(*,*) '----------------------------------------'
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@ -117,7 +117,7 @@ subroutine RParquet(max_it_1b,conv_1b,max_it_2b,conv_2b,nOrb,nC,nO,nV,nR,nS,eHF,
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allocate(old_eh_sing_Om(nS),old_eh_trip_Om(nS))
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allocate(old_ee_sing_Om(nVVs),old_hh_sing_Om(nOOs))
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allocate(old_ee_trip_Om(nVVt),old_hh_trip_Om(nOOt))
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allocate(eh_sing_rho(nOrb,nOrb,nS),eh_trip_rho(nOrb,nOrb,nS))
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allocate(eh_sing_rho(nOrb,nOrb,nS+nS),eh_trip_rho(nOrb,nOrb,nS+nS))
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allocate(ee_sing_rho(nOrb,nOrb,nVVs),hh_sing_rho(nOrb,nOrb,nOOs))
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allocate(ee_trip_rho(nOrb,nOrb,nVVt),hh_trip_rho(nOrb,nOrb,nOOt))
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allocate(old_eh_sing_Phi(nOrb,nOrb,nOrb,nOrb),old_eh_trip_Phi(nOrb,nOrb,nOrb,nOrb))
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@ -437,8 +437,7 @@ subroutine RParquet(max_it_1b,conv_1b,max_it_2b,conv_2b,nOrb,nC,nO,nV,nR,nS,eHF,
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deallocate(eh_sing_rho,eh_trip_rho,ee_sing_rho,ee_trip_rho,hh_sing_rho,hh_trip_rho)
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! TODO Once we will compute the blocks of kernel starting from the 4-tensors we can move the freeing up
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! Memory allocation
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allocate(eh_sing_rho(nOrb,nOrb,nS))
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allocate(eh_trip_rho(nOrb,nOrb,nS))
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allocate(eh_sing_rho(nOrb,nOrb,nS+nS),eh_trip_rho(nOrb,nOrb,nS+nS))
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allocate(ee_sing_rho(nOrb,nOrb,nVVs),hh_sing_rho(nOrb,nOrb,nOOs))
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allocate(ee_trip_rho(nOrb,nOrb,nVVt),hh_trip_rho(nOrb,nOrb,nOOt))
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