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Output

After running a Project, the local Project folder will contain the following directory tree (bold represents folders, italics represents files):

  • t3.log: Details of all project execution procedures.
  • iteration_x:
    • RMG:
      • input.py: The RMG input file for iteration x (automatically written by T3)
      • RMG.log: The RMG log file for iteration x.
      • Additional RMG files and folders
    • ARC:
      • restart.yml: The ARC restart file for iteration x.
      • arc.log: The ARC log file for iteration x.
      • calcs: All spawned jobs sorted by species name (including transition states).
      • output: Additional ARC output files and folders.