PhD-thesis-code

Bits of code I wrote to achieve tasks in my PhD thesis

Name		Name	Last commit message	Last commit date
ORCA_barrierless_scan+freq.py		ORCA_barrierless_scan+freq.py
README.md		README.md
freqs_to_multiwell.py		freqs_to_multiwell.py
process_files.sh		process_files.sh
relaxed_scan_enthalpy.py		relaxed_scan_enthalpy.py
rotors_determine.py		rotors_determine.py

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