dpgen2.entrypoint package

Submodules

dpgen2.entrypoint.main module

dpgen2.entrypoint.main.main()

dpgen2.entrypoint.main.main_parser() → ArgumentParser

DPGEN2 commandline options argument parser.

Returns

argparse.ArgumentParser

the argument parser

Notes

This function is used by documentation.

dpgen2.entrypoint.main.parse_args(args: Optional[List[str]] = None)

DPGEN2 commandline options argument parsing.

Parameters

args: List[str]

list of command line arguments, main purpose is testing default option None takes arguments from sys.argv

dpgen2.entrypoint.status module

dpgen2.entrypoint.status.status(workflow_id, wf_config: Optional[Dict] = {})

dpgen2.entrypoint.submit module

dpgen2.entrypoint.submit.expand_idx(in_list)

dpgen2.entrypoint.submit.expand_sys_str(root_dir: Union[str, Path]) → List[str]

dpgen2.entrypoint.submit.get_kspacing_kgamma_from_incar(fname)

dpgen2.entrypoint.submit.make_concurrent_learning_op(train_style: str = 'dp', explore_style: str = 'lmp', fp_style: str = 'vasp', prep_train_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, run_train_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, prep_explore_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, run_explore_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, prep_fp_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, run_fp_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, select_confs_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, collect_data_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, cl_step_config: str = {'continue_on_failed': False, 'continue_on_num_success': None, 'continue_on_success_ratio': None, 'executor': None, 'template_config': {'envs': None, 'image': 'dptechnology/dpgen2:latest', 'retry_on_transient_error': None, 'timeout': None, 'timeout_as_transient_error': False}}, upload_python_package: Optional[bool] = None)

dpgen2.entrypoint.submit.make_conf_list(conf_list, type_map, fmt='vasp/poscar')

dpgen2.entrypoint.submit.make_naive_exploration_scheduler(config)

dpgen2.entrypoint.submit.print_list_steps(steps)

dpgen2.entrypoint.submit.resubmit_concurrent_learning(wf_config, wfid, list_steps=False, reuse=None)

dpgen2.entrypoint.submit.submit_concurrent_learning(wf_config, reuse_step=None)

dpgen2.entrypoint.submit.successful_step_keys(wf)

dpgen2.entrypoint.submit.wf_global_workflow(wf_config)

dpgen2.entrypoint.submit.workflow_concurrent_learning(config)