custodian.jdftx package

This package implements various JDFTx Jobs and Error Handlers. Used Cp2kJob developed by Nick Winner as a template.

• custodian.jdftx.jobs module

  • JDFTxJob

    • JDFTxJob.postprocess()

    • JDFTxJob.run()

    • JDFTxJob.setup()

    • JDFTxJob.terminate()

    • JDFTxJob.terminate_process()