dpgen2.exploration package

Subpackages

• dpgen2.exploration.report package
  • Submodules
  • dpgen2.exploration.report.naive_report module
    • NaiveExplorationReport
      • NaiveExplorationReport.accurate_ratio()
      • NaiveExplorationReport.calculate_ratio()
      • NaiveExplorationReport.candidate_ratio()
      • NaiveExplorationReport.failed_ratio()
      • NaiveExplorationReport.ratio()
  • dpgen2.exploration.report.report module
    • ExplorationReport
      • ExplorationReport.accurate_ratio()
      • ExplorationReport.candidate_ratio()
      • ExplorationReport.failed_ratio()
  • dpgen2.exploration.report.trajs_report module
    • TrajsExplorationReport
      • TrajsExplorationReport.accurate_ratio()
      • TrajsExplorationReport.candidate_ratio()
      • TrajsExplorationReport.clear()
      • TrajsExplorationReport.failed_ratio()
      • TrajsExplorationReport.get_candidates()
      • TrajsExplorationReport.record_traj()
• dpgen2.exploration.scheduler package
  • Submodules
  • dpgen2.exploration.scheduler.convergence_check_stage_scheduler module
    • ConvergenceCheckStageScheduler
      • ConvergenceCheckStageScheduler.complete()
      • ConvergenceCheckStageScheduler.converged()
      • ConvergenceCheckStageScheduler.plan_next_iteration()
      • ConvergenceCheckStageScheduler.reached_max_iteration()
  • dpgen2.exploration.scheduler.scheduler module
    • ExplorationScheduler
      • ExplorationScheduler.add_stage_scheduler()
      • ExplorationScheduler.complete()
      • ExplorationScheduler.get_convergence_ratio()
      • ExplorationScheduler.get_iteration()
      • ExplorationScheduler.get_stage()
      • ExplorationScheduler.get_stage_of_iterations()
      • ExplorationScheduler.plan_next_iteration()
      • ExplorationScheduler.print_convergence()
  • dpgen2.exploration.scheduler.stage_scheduler module
    • StageScheduler
      • StageScheduler.converged()
      • StageScheduler.plan_next_iteration()
• dpgen2.exploration.selector package
  • Submodules
  • dpgen2.exploration.selector.conf_filter module
    • ConfFilter
      • ConfFilter.check()
    • ConfFilters
      • ConfFilters.add()
      • ConfFilters.check()
  • dpgen2.exploration.selector.conf_selector module
    • ConfSelector
      • ConfSelector.select()
  • dpgen2.exploration.selector.conf_selector_frame module
    • ConfSelectorLammpsFrames
      • ConfSelectorLammpsFrames.record_one_traj()
      • ConfSelectorLammpsFrames.select()
  • dpgen2.exploration.selector.trust_level module
    • TrustLevel
      • TrustLevel.level_f_hi
      • TrustLevel.level_f_lo
      • TrustLevel.level_v_hi
      • TrustLevel.level_v_lo
• dpgen2.exploration.task package
  • Subpackages
    • dpgen2.exploration.task.lmp package
      • Submodules
      • dpgen2.exploration.task.lmp.lmp_input module
  • Submodules
  • dpgen2.exploration.task.npt_task_group module
    • NPTTaskGroup
      • NPTTaskGroup.make_task()
      • NPTTaskGroup.set_conf()
      • 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()
    • ExplorationTaskGroup
      • ExplorationTaskGroup.add_group()
      • ExplorationTaskGroup.add_task()
      • ExplorationTaskGroup.clear()
      • ExplorationTaskGroup.task_list
    • FooTask
    • FooTaskGroup
      • FooTaskGroup.task_list