dpgen2 package
Subpackages
- dpgen2.conf package
- dpgen2.entrypoint package
- Submodules
- dpgen2.entrypoint.args module
- dpgen2.entrypoint.common module
- dpgen2.entrypoint.download module
- dpgen2.entrypoint.main module
- dpgen2.entrypoint.showkey module
- dpgen2.entrypoint.status module
- dpgen2.entrypoint.submit module
copy_scheduler_plans()
get_kspacing_kgamma_from_incar()
get_resubmit_keys()
get_scheduler_ids()
make_concurrent_learning_op()
make_finetune_step()
make_naive_exploration_scheduler()
make_optional_parameter()
print_list_steps()
resubmit_concurrent_learning()
submit_concurrent_learning()
successful_step_keys()
update_reuse_step_scheduler()
workflow_concurrent_learning()
- dpgen2.entrypoint.watch module
- dpgen2.entrypoint.workflow module
- dpgen2.exploration package
- Subpackages
- dpgen2.exploration.deviation package
- dpgen2.exploration.render package
- dpgen2.exploration.report package
- dpgen2.exploration.scheduler package
- dpgen2.exploration.selector package
- dpgen2.exploration.task package
- Subpackages
- Submodules
- dpgen2.exploration.task.conf_sampling_task_group module
- dpgen2.exploration.task.customized_lmp_template_task_group module
- dpgen2.exploration.task.lmp_template_task_group module
- dpgen2.exploration.task.make_task_group_from_config module
- dpgen2.exploration.task.npt_task_group module
- dpgen2.exploration.task.stage module
- dpgen2.exploration.task.task module
- Subpackages
- dpgen2.flow package
- dpgen2.fp package
- dpgen2.op package
- Submodules
- dpgen2.op.collect_data module
- dpgen2.op.md_settings module
- dpgen2.op.prep_dp_train module
- dpgen2.op.prep_lmp module
- dpgen2.op.run_dp_train module
RunDPTrain
RunDPTrain.decide_init_model()
RunDPTrain.default_optional_parameter
RunDPTrain.execute()
RunDPTrain.get_input_sign()
RunDPTrain.get_output_sign()
RunDPTrain.normalize_config()
RunDPTrain.skip_training()
RunDPTrain.training_args()
RunDPTrain.write_data_to_input_script()
RunDPTrain.write_other_to_input_script()
config_args()
- dpgen2.op.run_lmp module
- dpgen2.op.select_confs module
- dpgen2.superop package
- dpgen2.utils package
- Submodules
- dpgen2.utils.binary_file_input module
- dpgen2.utils.bohrium_config module
- dpgen2.utils.chdir module
- dpgen2.utils.dflow_config module
- dpgen2.utils.dflow_query module
- dpgen2.utils.download_dpgen2_artifacts module
- dpgen2.utils.obj_artifact module
- dpgen2.utils.run_command module
- dpgen2.utils.step_config module