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Flush outputs (Amp.*, Poten.*, etc.) #40

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3 changes: 3 additions & 0 deletions src/modules/BundleIOModule.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -57,6 +57,7 @@ subroutine FMS_WriteFBranching(B1)
call FMS_Branching(B1, Prob)

write (IUnit, '(1x,f11.2,50(1x,f11.9))') B1%CurrentTime, (Prob(i), i=1, nstate), FMS_Norm(B1)
flush (IUnit)

end subroutine FMS_WriteFBranching

Expand Down Expand Up @@ -100,6 +101,7 @@ subroutine FMS_WriteFEnergy(B1)

! write energies
write (IUnit, '(f10.2,6(1x,f14.9))') B1%CurrentTime, PotQM, KinQM, PotQM + KinQM, PotCl, KinCl, PotCl + KinCl
flush (IUnit)

end subroutine FMS_WriteFEnergy

Expand Down Expand Up @@ -182,6 +184,7 @@ subroutine FMS_WriteFCorr(B1)

Corr = overlap_bundle(B1, B_init)
write (iUnit, '(f10.2,4(1x,f12.9))') B1%CurrentTime, abs(Corr)**2, Corr
flush (IUnit)

contains

Expand Down
6 changes: 6 additions & 0 deletions src/modules/TrajectoryIOModule.f90
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Expand Up @@ -209,6 +209,7 @@ subroutine FMS_WriteFTrajDump(T)
write (iunit, 2) T%get_time(), (T%Particle(i)%get_pos(), i=1, T%NumParticles), &
((T%Particle(i)%get_mom(j), j=1, T%Particle(i)%NumDimensions), i=1, T%NumParticles), &
T%Phase, real(T%Amplitude), aimag(T%Amplitude), FMS_Weight(T), dble(T%StateID)
flush (iunit)

end subroutine FMS_WriteFTrajDump
!>
Expand All @@ -235,6 +236,7 @@ subroutine FMS_WriteFAmp(T)
end if

write (iunit, '(f10.2,4(f10.4))') T%get_time(), FMS_Weight(T), T%Amplitude
flush (iunit)

end subroutine FMS_WriteFAmp
!>
Expand Down Expand Up @@ -548,6 +550,7 @@ subroutine FMS_WriteFCouple(T)
! 4. Write the couplings
write (IUnit, 2) T%get_time(), (sqrt(sum(FMS_Coupling(T, i, j)**2)), j=1, nstate), &
(FMS_CoupDotVel(T, j), j=1, nstate)
flush (IUnit)

end subroutine FMS_WriteFCouple
!>
Expand Down Expand Up @@ -613,6 +616,7 @@ subroutine FMS_WriteFSOCouple(T)
end if

write (IUnit, 2) T%get_time(), Coup(1:k)
flush (IUnit)

end subroutine FMS_WriteFSOCouple
!>
Expand Down Expand Up @@ -916,6 +920,7 @@ subroutine FMS_WriteFTDipole(T)
! 4. Write transition dipole
write (iunit, 2) T%get_time(), (sqrt(sum(FMS_TransDipole(T, j)**2)), j=2, nstate), &
(FMS_TransDipole(T, j), j=2, nstate)
flush (iunit)

end subroutine FMS_WriteFTDipole
!>
Expand Down Expand Up @@ -966,6 +971,7 @@ subroutine FMS_WriteFPotEn(T)
else
write (iunit, 2) time, (Potential(T, j), j=1, nstate), Kinetic(T) + Potential(T, i)
end if
flush (iunit)

end subroutine FMS_WriteFPotEn
!>
Expand Down
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