6_type_aliases.rst

Type Aliases

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

A comprehensive list of :class:`plams.Job<scm.plams.core.basejob.Job>` subclasses and their respective aliases (i.e. :class:`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"