The Agent Skills Directory

[SAFE]: No malicious patterns or security risks were identified in the analyzed files.
[COMMAND_EXECUTION]: The script scripts/run_orca_input.py executes the ORCA binary using subprocess.run. The command is constructed as a list with the binary path and input filename, which avoids shell injection vulnerabilities. This execution is the primary function of the skill and relies on the ORCA_BINARY_PATH environment variable as specified in the documentation.
[EXTERNAL_DOWNLOADS]: The skill documentation includes references to official ORCA tutorials and manuals at https://www.faccts.de/docs/orca/6.1/tutorials/index.html. These are trusted resources for the software the skill supports and do not constitute a security risk.

chem-dft-orca-advanced-calculation