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()