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I am having trouble getting printFreq.py to work. The error may be on my end because I am getting the same error with both Gaussian and Orca files. The error I'm getting is suggests a file type error, but I have no trouble parsing the file with getInfo.py or grabThermo.py
I run
printFreq.py CN2H2-opt.out
and I get
Traceback (most recent call last):
File "/Users/joe/QChASM/AaronTools/bin/printFreq.py", line 164, in <module>
main()
File "/Users/joe/QChASM/AaronTools/bin/printFreq.py", line 75, in main
fr = FileReader(f, just_geom=False)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/Users/joe/QChASM/AaronTools/fileIO.py", line 1587, in __init__
raise NotImplementedError(file_type_err.format(self.file_type))
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