custodian.vasp package

This package implements various VASP Jobs and Error Handlers.

Subpackages

• custodian.vasp.tests package ```none

  • custodian.vasp.tests.conftest module

  • custodian.vasp.tests.test_handlers module

  • custodian.vasp.tests.test_jobs module

  • custodian.vasp.tests.test_validators module ```

• custodian.vasp.handlers module
  • AliasingErrorHandler
    • AliasingErrorHandler.check()
    • AliasingErrorHandler.correct()
    • AliasingErrorHandler.error_msgs
    • AliasingErrorHandler.is_monitor
  • CheckpointHandler
    • CheckpointHandler.check()
    • CheckpointHandler.correct()
    • CheckpointHandler.is_monitor
    • CheckpointHandler.is_terminating
  • DriftErrorHandler
    • DriftErrorHandler.check()
    • DriftErrorHandler.correct()
  • FrozenJobErrorHandler
    • FrozenJobErrorHandler.check()
    • FrozenJobErrorHandler.correct()
    • FrozenJobErrorHandler.is_monitor
  • IncorrectSmearingHandler
    • IncorrectSmearingHandler.check()
    • IncorrectSmearingHandler.correct()
    • IncorrectSmearingHandler.is_monitor
  • LargeSigmaHandler
    • LargeSigmaHandler.check()
    • LargeSigmaHandler.correct()
    • LargeSigmaHandler.is_monitor
  • LrfCommutatorHandler
    • LrfCommutatorHandler.check()
    • LrfCommutatorHandler.correct()
    • LrfCommutatorHandler.error_msgs
    • LrfCommutatorHandler.is_monitor
  • MeshSymmetryErrorHandler
    • MeshSymmetryErrorHandler.check()
    • MeshSymmetryErrorHandler.correct()
    • MeshSymmetryErrorHandler.is_monitor
  • NonConvergingErrorHandler
    • NonConvergingErrorHandler.check()
    • NonConvergingErrorHandler.correct()
    • NonConvergingErrorHandler.from_dict()
    • NonConvergingErrorHandler.is_monitor
  • PositiveEnergyErrorHandler
    • PositiveEnergyErrorHandler.check()
    • PositiveEnergyErrorHandler.correct()
    • PositiveEnergyErrorHandler.is_monitor
  • PotimErrorHandler
    • PotimErrorHandler.check()
    • PotimErrorHandler.correct()
    • PotimErrorHandler.is_monitor
  • ScanMetalHandler
    • ScanMetalHandler.check()
    • ScanMetalHandler.correct()
    • ScanMetalHandler.is_monitor
  • StdErrHandler
    • StdErrHandler.check()
    • StdErrHandler.correct()
    • StdErrHandler.error_msgs
    • StdErrHandler.is_monitor
  • StoppedRunHandler
    • StoppedRunHandler.check()
    • StoppedRunHandler.correct()
    • StoppedRunHandler.is_monitor
    • StoppedRunHandler.is_terminating
  • UnconvergedErrorHandler
    • UnconvergedErrorHandler.check()
    • UnconvergedErrorHandler.correct()
    • UnconvergedErrorHandler.is_monitor
  • VaspErrorHandler
    • VaspErrorHandler.check()
    • VaspErrorHandler.correct()
    • VaspErrorHandler.error_msgs
    • VaspErrorHandler.is_monitor
  • WalltimeHandler
    • WalltimeHandler.check()
    • WalltimeHandler.correct()
    • WalltimeHandler.is_monitor
    • WalltimeHandler.is_terminating
    • WalltimeHandler.raises_runtime_error
• custodian.vasp.interpreter module
  • VaspModder
    • VaspModder.apply_actions()
• custodian.vasp.jobs module
  • GenerateVaspInputJob
    • GenerateVaspInputJob.postprocess()
    • GenerateVaspInputJob.run()
    • GenerateVaspInputJob.setup()
  • VaspJob
    • VaspJob.constrained_opt_run()
    • VaspJob.double_relaxation_run()
    • VaspJob.full_opt_run()
    • VaspJob.metagga_opt_run()
    • VaspJob.postprocess()
    • VaspJob.run()
    • VaspJob.setup()
    • VaspJob.terminate()
  • VaspNEBJob
    • VaspNEBJob.postprocess()
    • VaspNEBJob.run()
    • VaspNEBJob.setup()
• custodian.vasp.validators module
  • VaspAECCARValidator
    • VaspAECCARValidator.check()
  • VaspFilesValidator
    • VaspFilesValidator.check()
  • VaspNpTMDValidator
    • VaspNpTMDValidator.check()
  • VasprunXMLValidator
    • VasprunXMLValidator.check()
  • check_broken_chgcar()