dpgen2.exploration package

Subpackages

• dpgen2.exploration.deviation package
  • Submodules
  • dpgen2.exploration.deviation.deviation_manager module
    • DeviManager
      • DeviManager.AVG_DEVI_F
      • DeviManager.AVG_DEVI_V
      • DeviManager.MAX_DEVI_F
      • DeviManager.MAX_DEVI_V
      • DeviManager.MIN_DEVI_F
      • DeviManager.MIN_DEVI_V
      • DeviManager.add()
      • DeviManager.clear()
      • DeviManager.get()
  • dpgen2.exploration.deviation.deviation_std module
    • DeviManagerStd
      • DeviManagerStd.clear()
• dpgen2.exploration.render package
  • Submodules
  • dpgen2.exploration.render.traj_render module
    • TrajRender
      • TrajRender.get_confs()
      • TrajRender.get_model_devi()
  • dpgen2.exploration.render.traj_render_lammps module
    • TrajRenderLammps
      • TrajRenderLammps.get_confs()
      • TrajRenderLammps.get_ele_temp()
      • TrajRenderLammps.get_model_devi()
      • TrajRenderLammps.set_ele_temp()
• dpgen2.exploration.report package
  • Submodules
  • dpgen2.exploration.report.report module
    • ExplorationReport
      • ExplorationReport.clear()
      • ExplorationReport.converged()
      • ExplorationReport.get_candidate_ids()
      • ExplorationReport.no_candidate()
      • ExplorationReport.print()
      • ExplorationReport.print_header()
      • ExplorationReport.record()
  • dpgen2.exploration.report.report_adaptive_lower module
    • ExplorationReportAdaptiveLower
      • ExplorationReportAdaptiveLower.accurate_ratio()
      • ExplorationReportAdaptiveLower.args()
      • ExplorationReportAdaptiveLower.candidate_ratio()
      • ExplorationReportAdaptiveLower.clear()
      • ExplorationReportAdaptiveLower.converged()
      • ExplorationReportAdaptiveLower.doc()
      • ExplorationReportAdaptiveLower.failed_ratio()
      • ExplorationReportAdaptiveLower.get_candidate_ids()
      • ExplorationReportAdaptiveLower.no_candidate()
      • ExplorationReportAdaptiveLower.print()
      • ExplorationReportAdaptiveLower.print_header()
      • ExplorationReportAdaptiveLower.record()
  • dpgen2.exploration.report.report_trust_levels_base module
    • ExplorationReportTrustLevels
      • ExplorationReportTrustLevels.accurate_ratio()
      • ExplorationReportTrustLevels.args()
      • ExplorationReportTrustLevels.candidate_ratio()
      • ExplorationReportTrustLevels.clear()
      • ExplorationReportTrustLevels.converged()
      • ExplorationReportTrustLevels.failed_ratio()
      • ExplorationReportTrustLevels.get_candidate_ids()
      • ExplorationReportTrustLevels.no_candidate()
      • ExplorationReportTrustLevels.print()
      • ExplorationReportTrustLevels.print_header()
      • ExplorationReportTrustLevels.record()
  • dpgen2.exploration.report.report_trust_levels_max module
    • ExplorationReportTrustLevelsMax
      • ExplorationReportTrustLevelsMax.converged()
      • ExplorationReportTrustLevelsMax.doc()
      • ExplorationReportTrustLevelsMax.get_candidate_ids()
  • dpgen2.exploration.report.report_trust_levels_random module
    • ExplorationReportTrustLevelsRandom
      • ExplorationReportTrustLevelsRandom.converged()
      • ExplorationReportTrustLevelsRandom.doc()
      • ExplorationReportTrustLevelsRandom.get_candidate_ids()
• dpgen2.exploration.scheduler package
  • Submodules
  • dpgen2.exploration.scheduler.convergence_check_stage_scheduler module
    • ConvergenceCheckStageScheduler
      • ConvergenceCheckStageScheduler.complete()
      • ConvergenceCheckStageScheduler.converged()
      • ConvergenceCheckStageScheduler.force_complete()
      • ConvergenceCheckStageScheduler.get_reports()
      • ConvergenceCheckStageScheduler.next_iteration()
      • ConvergenceCheckStageScheduler.plan_next_iteration()
      • ConvergenceCheckStageScheduler.reached_max_iteration()
  • dpgen2.exploration.scheduler.scheduler module
    • ExplorationScheduler
      • ExplorationScheduler.add_stage_scheduler()
      • ExplorationScheduler.complete()
      • ExplorationScheduler.force_stage_complete()
      • ExplorationScheduler.get_convergence_ratio()
      • ExplorationScheduler.get_iteration()
      • ExplorationScheduler.get_stage()
      • ExplorationScheduler.get_stage_of_iterations()
      • ExplorationScheduler.plan_next_iteration()
      • ExplorationScheduler.print_convergence()
      • ExplorationScheduler.print_last_iteration()
  • dpgen2.exploration.scheduler.stage_scheduler module
    • StageScheduler
      • StageScheduler.complete()
      • StageScheduler.converged()
      • StageScheduler.force_complete()
      • StageScheduler.get_reports()
      • StageScheduler.next_iteration()
      • StageScheduler.plan_next_iteration()
• dpgen2.exploration.selector package
  • Submodules
  • dpgen2.exploration.selector.conf_filter module
    • ConfFilter
      • ConfFilter.batched_check()
      • ConfFilter.check()
    • ConfFilters
      • ConfFilters.add()
      • ConfFilters.check()
  • dpgen2.exploration.selector.conf_selector module
    • ConfSelector
      • ConfSelector.select()
  • dpgen2.exploration.selector.conf_selector_frame module
    • ConfSelectorFrames
      • ConfSelectorFrames.select()
  • dpgen2.exploration.selector.distance_conf_filter module
    • BoxLengthFilter
      • BoxLengthFilter.args()
      • BoxLengthFilter.batched_check()
      • BoxLengthFilter.check()
    • BoxSkewnessConfFilter
      • BoxSkewnessConfFilter.args()
      • BoxSkewnessConfFilter.batched_check()
      • BoxSkewnessConfFilter.check()
    • DistanceConfFilter
      • DistanceConfFilter.args()
      • DistanceConfFilter.batched_check()
      • DistanceConfFilter.check()
    • check_multiples()
• dpgen2.exploration.task package
  • Subpackages
    • dpgen2.exploration.task.calypso package
      • Submodules
      • dpgen2.exploration.task.calypso.caly_input module
    • dpgen2.exploration.task.lmp package
      • Submodules
      • dpgen2.exploration.task.lmp.lmp_input module
  • Submodules
  • dpgen2.exploration.task.caly_task_group module
    • CalyTaskGroup
      • CalyTaskGroup.make_task()
      • CalyTaskGroup.set_params()
  • dpgen2.exploration.task.conf_sampling_task_group module
    • ConfSamplingTaskGroup
      • ConfSamplingTaskGroup.set_conf()
  • dpgen2.exploration.task.customized_lmp_template_task_group module
    • CustomizedLmpTemplateTaskGroup
      • CustomizedLmpTemplateTaskGroup.make_task()
      • CustomizedLmpTemplateTaskGroup.set_lmp()
  • dpgen2.exploration.task.diffcsp_task_group module
    • DiffCSPTaskGroup
      • DiffCSPTaskGroup.make_task()
  • dpgen2.exploration.task.lmp_template_task_group module
    • LmpTemplateTaskGroup
      • LmpTemplateTaskGroup.make_cont()
      • LmpTemplateTaskGroup.make_task()
      • LmpTemplateTaskGroup.set_lmp()
    • find_only_one_key()
    • revise_by_keys()
    • revise_lmp_input_dump()
    • revise_lmp_input_model()
    • revise_lmp_input_plm()
  • dpgen2.exploration.task.make_task_group_from_config module
    • caly_normalize()
    • caly_task_group_args()
    • caly_task_grp_args()
    • config_strip_confidx()
    • customized_lmp_template_task_group_args()
    • diffcsp_normalize()
    • diffcsp_task_group_args()
    • lmp_normalize()
    • lmp_task_group_args()
    • lmp_template_task_group_args()
    • make_calypso_task_group_from_config()
    • make_diffcsp_task_group_from_config()
    • make_lmp_task_group_from_config()
    • npt_task_group_args()
    • variant_task_group()
  • dpgen2.exploration.task.npt_task_group module
    • NPTTaskGroup
      • NPTTaskGroup.make_task()
      • NPTTaskGroup.set_md()
  • dpgen2.exploration.task.stage module
    • ExplorationStage
      • ExplorationStage.add_task_group()
      • ExplorationStage.clear()
      • ExplorationStage.make_task()
  • dpgen2.exploration.task.task module
    • ExplorationTask
      • ExplorationTask.add_file()
      • ExplorationTask.files()
  • dpgen2.exploration.task.task_group module
    • BaseExplorationTaskGroup
      • BaseExplorationTaskGroup.add_group()
      • BaseExplorationTaskGroup.add_task()
      • BaseExplorationTaskGroup.clear()
      • BaseExplorationTaskGroup.task_list
    • ExplorationTaskGroup
      • ExplorationTaskGroup.make_task()
    • FooTask
    • FooTaskGroup
      • FooTaskGroup.task_list