atomate2.turbomole package# Subpackages# atomate2.turbomole.custodian package Submodules atomate2.turbomole.custodian.jobs module TMJob atomate2.turbomole.custodian.validators module JobexGeoOptConvergedValidator NormalEndValidator ScfConvergedValidator Module contents atomate2.turbomole.flows package Submodules atomate2.turbomole.flows.core module JobexFlowMaker ScfFlowMaker check_periodicity_consistence() Module contents atomate2.turbomole.jobs package Submodules atomate2.turbomole.jobs.base module BaseTurbomoleMaker atomate2.turbomole.jobs.core module DefineMaker DscfMaker JobexMaker RidftMaker RiperMaker Module contents atomate2.turbomole.schemas package Subpackages atomate2.turbomole.schemas.calc_types package Module contents Submodules atomate2.turbomole.schemas.calculation module Calculation CalculationInput CalculationOutput Status TurbomoleObject atomate2.turbomole.schemas.task module DefineTaskDocument TaskDocument Module contents atomate2.turbomole.sets package Submodules atomate2.turbomole.sets.base module BaseTurbomoleInputGenerator DefineInputSet TurbomoleInputSet atomate2.turbomole.sets.core module DscfInputGenerator TurbomoleDefineInputGenerator TurbomoleInputGenerator Module contents Submodules# atomate2.turbomole.utils module JobexTimings JobexTimings.from_file() JobexTimings.total_time() datetime_str() get_define_parameters() Module contents# Main module of the atomate2-turbomole package.