Skip to main content

You are not logged in. Your edit will be placed in a queue until it is peer reviewed.

We welcome edits that make the post easier to understand and more valuable for readers. Because community members review edits, please try to make the post substantially better than how you found it, for example, by fixing grammar or adding additional resources and hyperlinks.

Required fields*

6
  • $\begingroup$ "I tried to use the StringCases function to do it but I've done it many times and failed. " StringCases is the correct function to use. How did you try? Please show us your trial so we can tell you what's wrong. $\endgroup$ Commented Apr 17, 2023 at 10:36
  • $\begingroup$ I couldn't find the right matching pattern, the matching failed, so here's what you think $\endgroup$ Commented Apr 17, 2023 at 10:46
  • 1
    $\begingroup$ Hint: Shortest. $\endgroup$ Commented Apr 17, 2023 at 10:51
  • 3
    $\begingroup$ FWIW, Import can handle direct importing from Gaussian log files reference.wolfram.com/language/ref/format/GaussianLog.html ; the results go into a Molecule and you can extract the coordinates appropriately (if your goal is to extract coordinates rather than do text file processing) $\endgroup$ Commented Apr 17, 2023 at 18:09
  • 1
    $\begingroup$ "I've used this before. It doesn't do much." I'm not a user of Gaussian, but this is the third time I see similar statement under your question, and the previous two are proven to be wrong. (1. mathematica.stackexchange.com/q/270271/1871 2. mathematica.stackexchange.com/q/275291/1871 ) Are you sure "it doesn't do much"? Can you elaborate a bit so @joshua and us can check if Import really "doesn't do much"? $\endgroup$ Commented Apr 22, 2023 at 2:43