PyVibMS
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Problem with gaussian .log files
Hi, I'm having some trouble when trying to open some .log files from a gaussian calculated transition state and trying to visualize the vibrations. It opens the structure but it doesn't recognise the vibrations and no vibration modes appear, also the lattice vectors origin shows as 0.0, 0.0, 0.0.
The messages that appear when opening the file are: line 2155, in loadxyz parse_g16(xyz_file_path)
line 706, in parse_g16 nvib,natom = count_atom(container) ^^^^^^^^^^^^^^^^^^^^^
line 169, in count_atom natom = f2[0] - f1[0] - 1 ~~^^^
IndexError: list index out of range
Do you have any idea what the problem might be and how to fix it? Thanks