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"