[BUG] VASP trajectory conversion failure with files from MDANSE-Examples

[ChiCheng45]

Description of the error MDANSE fails to convert the VASP trajectories from MDANSE-Examples with the XDATCAR_Hexane file. The following error is seen.

ic| err: ('<class '
          "'MDANSE.Framework.Jobs.IJob.JobError'>(<MDANSE.Framework.Converters.VASP.VASP "
          "object at 0x00000184EB03B890>, 'Traceback (most recent call last):\
           File "
          '"C:\\\\Users\\\\xcb63893\\\\PycharmProjects\\\\MDANSE\\\\MDANSE\\\\Src\\\\MDANSE\\\\Framework\\\\Jobs\\\\IJob.py", '
          'line 302, in run\
             self.initialize()\
           File '
          '"C:\\\\Users\\\\xcb63893\\\\PycharmProjects\\\\MDANSE\\\\MDANSE\\\\Src\\\\MDANSE\\\\Framework\\\\Converters\\\\VASP.py", '
          'line 207, in initialize\
             self._xdatcarFile = '
          'XDATCARFile(self.configuration["xdatcar_file"]["filename"])\
                                 '
          '^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^\
           File '
          '"C:\\\\Users\\\\xcb63893\\\\PycharmProjects\\\\MDANSE\\\\MDANSE\\\\Src\\\\MDANSE\\\\Framework\\\\Converters\\\\VASP.py", '
          'line 53, in __init__\
             self["scale_factor"] = '
          'float(header[0])\
                                    ^^^^^^^^^^^^^^^^\
         ValueError: '
          "could not convert string to float: \\'0.10000000E+02 3.606000e-009 "
          "3.606000e-009 3.606000e-009 1.000000e-013\\'\
         ')Traceback (most recent call "
          'last):
         '
          '  File '
          '"C:\\Users\\xcb63893\\PycharmProjects\\MDANSE\\MDANSE\\Src\\MDANSE\\Framework\\Jobs\\IJob.py", '
          'line 302, in run
         '
          '    self.initialize()
         '
          '  File '
          '"C:\\Users\\xcb63893\\PycharmProjects\\MDANSE\\MDANSE\\Src\\MDANSE\\Framework\\Converters\\VASP.py", '
          'line 207, in initialize
         '
          '    self._xdatcarFile = '
          'XDATCARFile(self.configuration["xdatcar_file"]["filename"])
         '
          '                        '
          '^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
         '
          '  File '
          '"C:\\Users\\xcb63893\\PycharmProjects\\MDANSE\\MDANSE\\Src\\MDANSE\\Framework\\Converters\\VASP.py", '
          'line 53, in __init__
         '
          '    self["scale_factor"] = float(header[0])
         '
          '                           ^^^^^^^^^^^^^^^^
         '
          "ValueError: could not convert string to float: '0.10000000E+02 3.606000e-009 "
          "3.606000e-009 3.606000e-009 1.000000e-013'
         ")