printFreq.py

[joegair]

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))

[ajs99778]

This should be fixed. When I made printFreq work on multiple files (e.g. printFreq.py *.out), I added the part where it loops over the input file names, but forgot to make it take multiple files from the command line.

[joegair]

great. no issues on my end. thank you!