custodian.gaussian packageΒΆ

This package implements various Gaussian Jobs and Error Handlers.

  • custodian.gaussian.handlers module

    • GaussianErrorHandler

      • GaussianErrorHandler.GRID_NAMES

      • GaussianErrorHandler.MEM_UNITS

      • GaussianErrorHandler.activate_better_guess

      • GaussianErrorHandler.check()

      • GaussianErrorHandler.conv_criteria

      • GaussianErrorHandler.convert_mem()

      • GaussianErrorHandler.correct()

      • GaussianErrorHandler.error_defs

      • GaussianErrorHandler.error_patt

      • GaussianErrorHandler.grid_patt

      • GaussianErrorHandler.recom_mem_patt

    • WallTimeErrorHandler

      • WallTimeErrorHandler.check()

      • WallTimeErrorHandler.correct()

      • WallTimeErrorHandler.is_monitor

  • custodian.gaussian.jobs module

    • GaussianJob

      • GaussianJob.generate_better_guess()

      • GaussianJob.postprocess()

      • GaussianJob.run()

      • GaussianJob.setup()

      • GaussianJob.terminate()

pymatgen

Navigation

Related Topics

  • Documentation overview

Quick search

©2022, Materials Virtual Lab. | Powered by Sphinx 8.1.3 & Alabaster 0.7.16 | Page source
This page uses Google Analytics to collect statistics. You can disable it by blocking the JavaScript coming from www.google-analytics.com.