diff --git a/src/modules/BundleIOModule.f90 b/src/modules/BundleIOModule.f90 index 541970a..e0b6b58 100644 --- a/src/modules/BundleIOModule.f90 +++ b/src/modules/BundleIOModule.f90 @@ -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 @@ -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 @@ -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 diff --git a/src/modules/TrajectoryIOModule.f90 b/src/modules/TrajectoryIOModule.f90 index 8e4c701..441a2d3 100644 --- a/src/modules/TrajectoryIOModule.f90 +++ b/src/modules/TrajectoryIOModule.f90 @@ -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 !> @@ -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 !> @@ -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 !> @@ -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 !> @@ -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 !> @@ -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 !>