Generate ORCA input files for IRC (Intrinsic Reaction Coordinate) calculations and post-process the results. Use this skill whenever the user asks about IRC calculations, reaction path following, confirming transition state connectivity, or tracing a minimum energy path from a TS in ORCA. Also trigger when the user mentions IRC endpoints, forward/backward reaction paths, or needs to verify that a TS connects to expected reactants and products.
How to install orca-irc?
hello-qm/catgo-lrg/orca-irc
$npx -y skills add hello-qm/catgo-lrg --skill orca-ircInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/hello-qm/catgo-lrg" --skill "hello-qm/catgo-lrg/orca-irc"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/hello-qm/catgo-lrg" that are relevant to the current task. Run `npx skills add "https://github.com/hello-qm/catgo-lrg"` and select the relevant skills, then follow their instructions.
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