JobType

class atomate2.vasp.run.JobType(value)[source]

Bases: ValueEnum

Type of VASP job.

  • DIRECT: Run VASP without using custodian.

  • NORMAL: Normal custodian VaspJob.

  • DOUBLE_RELAXATION: Custodian double relaxation run from VaspJob.double_relaxation_run.

  • METAGGA_OPT: Custodian meta-GGA optimization run from VaspJob.metagga_opt_run.

  • FULL_OPT: Custodian full optimization run from VaspJob.full_opt_run.

  • NEB: Run a VASP NEB job.