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change one print in ppLR to allow for more decimals
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@ -69,7 +69,7 @@ subroutine ppLR_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nOO,nVV,dipole_
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end if
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print*,'-------------------------------------------------------------'
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write(*,'(A20,I3,A2,F10.6,A3,A6,F6.4,A11,F6.4)') &
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write(*,'(A20,I3,A2,F12.6,A3,A6,F6.4,A11,F6.4)') &
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' p-p excitation n. ',ab,': ',Om1(ab)*HaToeV,' eV',' f = ',os1(ab),' <S**2> = ',S2
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print*,'-------------------------------------------------------------'
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@ -140,7 +140,7 @@ subroutine ppLR_transition_vectors(spin_allowed,nBas,nC,nO,nV,nR,nOO,nVV,dipole_
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end if
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print*,'-------------------------------------------------------------'
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write(*,'(A20,I3,A2,F10.6,A3,A6,F6.4,A11,F6.4)') &
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write(*,'(A20,I3,A2,F12.6,A3,A6,F6.4,A11,F6.4)') &
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' h-h excitation n. ',ij,': ',Om2(ij)*HaToeV,' eV',' f = ',os2(ij),' <S**2> = ',S2
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print*,'-------------------------------------------------------------'
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