Re: Fixing the symptom…
It appears they do now - from the linked paper...
To overcome this issue, we amended the script to include a line in the read_gaussian_outputfiles subroutine that forces sorting before pairing and a longer file-matching check function that alerts the user when there is a potential file-matching issue (see the Supporting Information).(17) We have tested the revised script across platforms (i.e., MacOS, LINUX, and Windows) running different versions of Python, and it yields consistent results.
Biting the hand that feeds IT
