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+--- Thread: Looking for a Guide Through the Labyrinth (/thread-15597.html)
Looking for a Guide Through the Labyrinth - stephenmolnar - Jan-23-2019
I am a semi-retired Research Scientist who bumbled his way through FORTRAN II programming more years ago that I am willing to admit.
I have a Quantum Chemistry (QC) program that generates rather large text files that contain data tables that I would like to extract in order to generate an input file for another program. I know that I can use the function np.genfromtxt to extract the data, but how do I find a specific text file in the larger QC output file?
I’m not looking for someone to write the python3 code for me, but rather, as the title suggests pointers towards solutions to the problem
Many thanks, in advance
RE: Looking for a Guide Through the Labyrinth - Larz60+ - Jan-23-2019
First need to know the structure of the 'rather large text file'
the file can be opened and read in chunks, but to do that efficiently, the chunk sizes should be some factor of the structure size.