`deepmd.utils.argcheck`

Module Contents

Classes

ArgsPlugin

Functions

`list_to_doc`(xx)
`make_link`(content, ref_key)
`type_embedding_args`()
`spin_args`()
`descrpt_local_frame_args`()
`descrpt_se_a_args`()
`descrpt_se_t_args`()
`descrpt_se_a_tpe_args`()
`descrpt_se_r_args`()
`descrpt_hybrid_args`()
`descrpt_se_atten_common_args`()
`descrpt_se_atten_args`()
`descrpt_se_atten_v2_args`()
`descrpt_dpa2_args`()
`descrpt_se_a_ebd_v2_args`()
`descrpt_se_a_mask_args`()
`descrpt_variant_type_args`(→ dargs.Variant)
`fitting_ener`()
`fitting_dos`()
`fitting_polar`()
`fitting_dipole`()
`fitting_variant_type_args`()
`modifier_dipole_charge`()
`modifier_variant_type_args`()
`model_compression`()
`model_compression_type_args`()
`model_args`([exclude_hybrid])
`standard_model_args`(→ dargs.Argument)
`multi_model_args`(→ dargs.Argument)
`pairwise_dprc`(→ dargs.Argument)
`frozen_model_args`(→ dargs.Argument)
`pairtab_model_args`(→ dargs.Argument)
`linear_ener_model_args`(→ dargs.Argument)
`learning_rate_exp`()
`learning_rate_variant_type_args`()
`learning_rate_args`()
`learning_rate_dict_args`()
`start_pref`(item[, label, abbr])
`limit_pref`(item)
`loss_ener`()
`loss_ener_spin`()
`loss_dos`()
`loss_tensor`()
`loss_variant_type_args`()
`loss_args`()
`loss_dict_args`()
`training_data_args`()
`validation_data_args`()
`mixed_precision_args`()
`training_args`()
`make_index`(keys)
`gen_doc`(*[, make_anchor, make_link])
`gen_json`(**kwargs)
`gen_args`(→ List[dargs.Argument])
`normalize_multi_task`(data)
`normalize_fitting_net_dict`(fitting_net_dict)
`normalize_data_dict`(data_dict)
`normalize_loss_dict`(fitting_keys, loss_dict)
`normalize_learning_rate_dict`(fitting_keys, ...)
`normalize_learning_rate_dict_with_single_learning_rate`(...)
`normalize_fitting_weight`(fitting_keys, data_keys[, ...])
`normalize`(data)

Attributes

`log`
`ACTIVATION_FN_DICT`
`PRECISION_DICT`
`doc_only_tf_supported`
`doc_only_pt_supported`
`descrpt_args_plugin`
`fitting_args_plugin`
`loss_args_plugin`

deepmd.utils.argcheck.log[source]

deepmd.utils.argcheck.ACTIVATION_FN_DICT[source]

deepmd.utils.argcheck.PRECISION_DICT[source]

deepmd.utils.argcheck.doc_only_tf_supported = '(Supported Backend: TensorFlow) '[source]

deepmd.utils.argcheck.doc_only_pt_supported = '(Supported Backend: PyTorch) '[source]

deepmd.utils.argcheck.list_to_doc(xx)[source]

deepmd.utils.argcheck.make_link(content, ref_key)[source]

deepmd.utils.argcheck.type_embedding_args()[source]

deepmd.utils.argcheck.spin_args()[source]

class deepmd.utils.argcheck.ArgsPlugin[source]

register(name: str, alias: List[str] | None = None, doc: str = '') → Callable[[], List[dargs.Argument]][source]

Register a descriptor argument plugin.

Parameters:

namestr: the name of a descriptor
aliasList[str], optional: the list of aliases of this descriptor

Returns:

Callable[[], List[Argument]]: the registered descriptor argument method

Examples

>>> some_plugin = ArgsPlugin()
>>> @some_plugin.register("some_descrpt")
    def descrpt_some_descrpt_args():
        return []

get_all_argument(exclude_hybrid: bool = False) → List[dargs.Argument][source]

Get all arguments.