patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
http://www.patonlab.colostate.edu
MIT License
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New Computer, New Version and unknown errors #69

Closed kyCon72 closed 8 months ago

kyCon72 commented 9 months ago

I recently had to wipe my previous laptop (was using goodvibes 3.0.0 I believe, as well as the python version that was present at the time, which was around a year old) and get a new one in which upon installing the newest version of both python and goodvibes on it, is consistently giving me an error when I try to get the energies for my .log files. " File "C:\Users____\AppData\Local\Programs\Python\Python311\Lib\site-packages\goodvibes\GoodVibes.py", line 809, in main^[[0K lot_sm_prog = read_initial(file)^[[0K ^^^^^^^^^^^^^[[0K NameError: name 'read_initial' is not defined^[[0K ^[[0K"

(I have removed my user name in the file path)

I have tried using previous versions and although after some tweaking I got it to work, it is still spitting out a lot of "^[[0K" at the beginning and end of files as well. Am I forgetting something important that is causing these errors?