@@ -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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