Bug in tamkin.io.trajectory.py

[jeveki]

In its current version, the output printed by dump_modes_gaussian is not readable by Molden due to some minor bugs. More specifically:

• Line 241 should be print(' Frequencies --', end="", file=f) instead of print(' Frequencies --', file=f). Now, the word 'Frequencies' and the actual frequencies are written on separate lines, while they should be on the same line.
• Line 253 should be print('%9.2f %6.2f %6.2f' % ( instead of print('%8.2f %6.2f %6.2f' % (. i.e. an extra space is needed in front of the x coordinate.