next up previous contents
Next: Specifying Basis Sets Up: PSI3 Input Files Previous: Specifying Scratch Disk Usage   Contents


The .psirc File

Users of PSI3 often find that they wish to use certain keywords or input sections in every calculation they run, especially those keywords associated with the files: section. The .psirc file, which is kept in the user's $HOME directory, helps to avoid repetition of keywords whose defaults are essentially user- or system-specific. A typical .psirc file would look like:

psi: (
  files: (
    default: (
      nvolume=3
      volume1 = "/tmp1/mylogin/"
      volume2 = "/tmp2/mylogin/"
      volume3 = "/tmp3/mylogin/"
    )
    file32: (nvolume=1 volume1 = "./")
  )
)



T. Daniel Crawford 2009-02-16