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Lines changed: 46 additions & 46 deletions

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src/modules/TrajectoryIOModule.f90

Lines changed: 46 additions & 46 deletions
Original file line numberDiff line numberDiff line change
@@ -194,39 +194,39 @@ subroutine FMS_WriteFTrajDump(T)
194194
! Header.
195195
! The is a single line with columns for all particles.
196196
! " Time ... positions ... momenta ... phase ... stateID"
197-
write (unit = iunit, fmt = '(a10)', advance = 'no') " # Time"
197+
write (unit=iunit, fmt='(a10)', advance='no') " # Time"
198198
do i = 1, t%numParticles
199-
write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
200-
FMS_NumberedFileName('pos', i)//'x', &
201-
FMS_NumberedFileName('pos', i)//'y', &
202-
FMS_NumberedFileName('pos', i)//'z'
199+
write (unit=iunit, fmt='(3(a10))', advance='no') &
200+
FMS_NumberedFileName('pos', i)//'x', &
201+
FMS_NumberedFileName('pos', i)//'y', &
202+
FMS_NumberedFileName('pos', i)//'z'
203203
end do
204204
do i = 1, t%numParticles
205-
write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
206-
FMS_NumberedFileName('mom', i)//'x', &
207-
FMS_NumberedFileName('mom', i)//'y', &
208-
FMS_NumberedFileName('mom', i)//'z'
205+
write (unit=iunit, fmt='(3(a10))', advance='no') &
206+
FMS_NumberedFileName('mom', i)//'x', &
207+
FMS_NumberedFileName('mom', i)//'y', &
208+
FMS_NumberedFileName('mom', i)//'z'
209209
end do
210-
write (unit = iunit, fmt = '(5(a10))') &
211-
'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
210+
write (unit=iunit, fmt='(5(a10))') &
211+
'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
212212
! Data to follow ...
213213
end if
214214
units(ntraj) = iunit
215215
end if
216216

217217
! Data ...
218218
! (time is a f10.2 format; others are f10.4; stateID could be int)
219-
write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
219+
write (unit=iunit, fmt='(f10.2)', advance='no') t%get_time()
220220
do i = 1, t%numParticles
221-
write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
222-
t%particle(i)%get_pos()
221+
write (unit=iunit, fmt='(3(f10.4))', advance='no') &
222+
t%particle(i)%get_pos()
223223
end do
224224
do i = 1, t%numParticles
225-
write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
226-
t%particle(i)%get_mom()
225+
write (unit=iunit, fmt='(3(f10.4))', advance='no') &
226+
t%particle(i)%get_mom()
227227
end do
228-
write (unit = iunit, fmt = '(5(f10.4))') &
229-
t%phase, t%amplitude%re, t%amplitude%im, FMS_Weight(t), real(t%stateID)
228+
write (unit=iunit, fmt='(5(f10.4))') &
229+
t%phase, t%amplitude%re, t%amplitude%im, FMS_Weight(t), real(t%stateID)
230230

231231
end subroutine FMS_WriteFTrajDump
232232
!>
@@ -745,18 +745,18 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
745745
open (newunit=iunit, file=trim(long_file_name))
746746
! Header
747747
! "Time ... magnitudes ... components"
748-
write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
748+
write (unit=iunit, fmt='(a10)', advance='no') "#Time"
749749
do k = 1, t%numStates
750-
write (unit = iunit, fmt = '(a10)', advance = 'no') &
751-
FMS_NumberedFileName('Mag', k)
750+
write (unit=iunit, fmt='(a10)', advance='no') &
751+
FMS_NumberedFileName('Mag', k)
752752
end do
753753
do k = 1, t%numStates
754-
write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
755-
FMS_NumberedFileName('D', k)//'x', &
756-
FMS_NumberedFileName('D', k)//'y', &
757-
FMS_NumberedFileName('D', k)//'z'
754+
write (unit=iunit, fmt='(3(a10))', advance='no') &
755+
FMS_NumberedFileName('D', k)//'x', &
756+
FMS_NumberedFileName('D', k)//'y', &
757+
FMS_NumberedFileName('D', k)//'z'
758758
end do
759-
write (unit = iunit, fmt = *) ! end of header line
759+
write (unit=iunit, fmt=*) ! end of header line
760760
else
761761
open (newunit=iunit, file=trim(long_file_name), position='append')
762762
end if
@@ -766,14 +766,14 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
766766
! intentional?
767767

768768
do k = 1, t%numStates
769-
write (unit = iunit, fmt = '(f11.6)', advance = 'no') &
770-
sqrt(sum(FMS_Dipole(t, k)**2))
769+
write (unit=iunit, fmt='(f11.6)', advance='no') &
770+
sqrt(sum(FMS_Dipole(t, k)**2))
771771
end do
772772
do k = 1, t%numStates
773-
write (unit = iunit, fmt = '(3(f11.6))', advance = 'no') &
774-
FMS_Dipole(t, k)
773+
write (unit=iunit, fmt='(3(f11.6))', advance='no') &
774+
FMS_Dipole(t, k)
775775
end do
776-
write (unit = iunit, fmt = *) ! end of data line
776+
write (unit=iunit, fmt=*) ! end of data line
777777

778778
close (IUnit)
779779

@@ -929,36 +929,36 @@ subroutine FMS_WriteFTDipole(T)
929929
call FMS_OpenFile(FMS_NumberedFileName('TDip', T%TrajID), iunit, file_existed)
930930
if (.not. file_existed) then
931931
! Header ...
932-
write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
932+
write (unit=iunit, fmt='(a10)', advance='no') "#Time"
933933
do j = 2, t%numStates
934-
write (unit = iunit, fmt = '(a10)', advance = 'no') &
935-
FMS_NumberedFileName('Mag', j)
934+
write (unit=iunit, fmt='(a10)', advance='no') &
935+
FMS_NumberedFileName('Mag', j)
936936
end do
937937
do j = 2, t%numStates
938-
write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
939-
FMS_NumberedFileName('TD', j)//'x', &
940-
FMS_NumberedFileName('TD', j)//'y', &
941-
FMS_NumberedFileName('TD', j)//'z'
938+
write (unit=iunit, fmt='(3(a10))', advance='no') &
939+
FMS_NumberedFileName('TD', j)//'x', &
940+
FMS_NumberedFileName('TD', j)//'y', &
941+
FMS_NumberedFileName('TD', j)//'z'
942942
end do
943-
write (unit = iunit, fmt = *) ! End of header line
943+
write (unit=iunit, fmt=*) ! End of header line
944944
end if
945945
units(T%TrajID) = iunit
946946
end if
947947

948948
! 4. Write transition dipole
949949

950-
write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
950+
write (unit=iunit, fmt='(f10.2)', advance='no') t%get_time()
951951
do j = 2, t%numStates
952-
write (unit = iunit, fmt = '(1x,f9.5)', advance = 'no') &
953-
sqrt(sum(FMS_TransDipole(t, j)**2))
952+
write (unit=iunit, fmt='(1x,f9.5)', advance='no') &
953+
sqrt(sum(FMS_TransDipole(t, j)**2))
954954
end do
955955
do j = 2, t%numStates
956-
write (unit = iunit, fmt = '(3(1x,f9.5))', advance = 'no') &
957-
FMS_TransDipole(t, j)
956+
write (unit=iunit, fmt='(3(1x,f9.5))', advance='no') &
957+
FMS_TransDipole(t, j)
958958
end do
959-
write (unit = iunit, fmt = *) ! End of data line
959+
write (unit=iunit, fmt=*) ! End of data line
960960

961-
end subroutine FMS_WriteFTDipole
961+
end subroutine FMS_WriteFTDipole
962962
!>
963963
!! Writes formatted potential energy data
964964
!!

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