Type Aliases

Aliases are available for a large number of job types, allowing one to pass a str instead of a type object, thus simplifying the input settings for CAT. Aliases are insensitive towards capitalization (or lack thereof).

A comprehensive list of plams.Job subclasses and their respective aliases (i.e. str) is presented below.

Aliases

  • ADFJob = "adf" = "adfjob"
  • AMSJob = "ams" = "amsjob"
  • UFFJob = "uff" = "uffjob"
  • BANDJob = "band" = "bandjob"
  • DFTBJob = "dftb" = "dftbjob"
  • MOPACJob = "mopac" = "mopacjob"
  • ReaxFFJob = "reaxff" = "reaxffjob"
  • Cp2kJob = "cp2k" = "cp2kjob"
  • ORCAJob = "orca" = "orcajob"
  • DiracJob = "dirac" = "diracjob"
  • GamessJob = "gamess" = "gamessjob"
  • DFTBPlusJob = "dftbplus" = "dftbplusjob"
  • CRSJob = "crs" = "cosmo-rs" = "crsjob"