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"