custodian.nwchem package

This package implements various Nwchem Jobs and Error Handlers.

Subpackages

• custodian.nwchem.tests package ```none
  • custodian.nwchem.tests.test_handlers module ```
• custodian.nwchem.handlers module
  • NwchemErrorHandler
    • NwchemErrorHandler.check()
    • NwchemErrorHandler.correct()
• custodian.nwchem.jobs module
  • NwchemJob
    • NwchemJob.postprocess()
    • NwchemJob.run()
    • NwchemJob.setup()