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Description
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))
Activity
ajs99778 commentedon Feb 3, 2025
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 commentedon Feb 7, 2025
great. no issues on my end. thank you!