Python API
- backend package
- deepmd package
DeepEval
DeepPotential()
DipoleChargeModifier
- Subpackages
- deepmd.cluster package
- deepmd.descriptor package
Descriptor
DescrptHybrid
DescrptLocFrame
DescrptSeA
DescrptSeAEbd
DescrptSeAEbdV2
DescrptSeAEf
DescrptSeAEfLower
DescrptSeAMask
DescrptSeAtten
DescrptSeAttenV2
DescrptSeR
DescrptSeT
- Submodules
- deepmd.descriptor.descriptor module
- deepmd.descriptor.hybrid module
- deepmd.descriptor.loc_frame module
- deepmd.descriptor.se module
- deepmd.descriptor.se_a module
- deepmd.descriptor.se_a_ebd module
- deepmd.descriptor.se_a_ebd_v2 module
- deepmd.descriptor.se_a_ef module
- deepmd.descriptor.se_a_mask module
- deepmd.descriptor.se_atten module
- deepmd.descriptor.se_atten_v2 module
- deepmd.descriptor.se_r module
- deepmd.descriptor.se_t module
- deepmd.entrypoints package
compress()
convert()
doc_train_input()
freeze()
make_model_devi()
neighbor_stat()
start_dpgui()
test()
train_dp()
transfer()
- Submodules
- deepmd.entrypoints.compress module
- deepmd.entrypoints.convert module
- deepmd.entrypoints.doc module
- deepmd.entrypoints.freeze module
- deepmd.entrypoints.gui module
- deepmd.entrypoints.ipi module
- deepmd.entrypoints.main module
- deepmd.entrypoints.neighbor_stat module
- deepmd.entrypoints.test module
- deepmd.entrypoints.train module
- deepmd.entrypoints.transfer module
- deepmd.fit package
- deepmd.infer package
DeepDOS
DeepDipole
DeepEval
DeepGlobalPolar
DeepPolar
DeepPot
DeepPotential()
DeepWFC
DipoleChargeModifier
EwaldRecp
calc_model_devi()
- Submodules
- deepmd.infer.data_modifier module
- deepmd.infer.deep_dipole module
- deepmd.infer.deep_dos module
- deepmd.infer.deep_eval module
- deepmd.infer.deep_polar module
- deepmd.infer.deep_pot module
- deepmd.infer.deep_tensor module
- deepmd.infer.deep_wfc module
- deepmd.infer.ewald_recp module
- deepmd.infer.model_devi module
- deepmd.loggers package
- deepmd.loss package
- deepmd.model package
DOSModel
DipoleModel
EnerModel
GlobalPolarModel
MultiModel
PolarModel
WFCModel
- Submodules
- deepmd.model.dos module
- deepmd.model.ener module
- deepmd.model.frozen module
- deepmd.model.linear module
- deepmd.model.model module
- deepmd.model.model_stat module
- deepmd.model.multi module
- deepmd.model.pairtab module
- deepmd.model.pairwise_dprc module
- deepmd.model.tensor module
- deepmd.nvnmd package
- deepmd.op package
- deepmd.train package
- deepmd.utils package
DeepmdData
DeepmdDataSystem
LearningRateExp
PairTab
Plugin
PluginVariant
- Submodules
- deepmd.utils.argcheck module
- deepmd.utils.batch_size module
- deepmd.utils.compat module
- deepmd.utils.compress module
- deepmd.utils.convert module
- deepmd.utils.data module
- deepmd.utils.data_system module
- deepmd.utils.errors module
- deepmd.utils.finetune module
- deepmd.utils.graph module
- deepmd.utils.learning_rate module
- deepmd.utils.multi_init module
- deepmd.utils.neighbor_stat module
- deepmd.utils.network module
- deepmd.utils.nlist module
- deepmd.utils.pair_tab module
- deepmd.utils.parallel_op module
- deepmd.utils.path module
- deepmd.utils.plugin module
- deepmd.utils.random module
- deepmd.utils.region module
- deepmd.utils.sess module
- deepmd.utils.spin module
- deepmd.utils.tabulate module
- deepmd.utils.type_embed module
- deepmd.utils.weight_avg module
- Submodules
- deepmd.calculator module
- deepmd.common module
- deepmd.env module
- deepmd.lmp module
- deepmd_utils package
- Subpackages
- deepmd_utils.entrypoints package
- deepmd_utils.loggers package
- deepmd_utils.model_format package
DescrptSeA
EmbeddingNet
EnvMat
FittingNet
FittingOutputDef
ModelOutputDef
NativeLayer
NativeNet
NativeOP
NetworkCollection
OutputVariableDef
fitting_check_output()
get_deriv_name()
get_reduce_name()
load_dp_model()
make_embedding_network()
make_fitting_network()
make_multilayer_network()
model_check_output()
save_dp_model()
traverse_model_dict()
- Submodules
- deepmd_utils.model_format.common module
- deepmd_utils.model_format.env_mat module
- deepmd_utils.model_format.network module
- deepmd_utils.model_format.output_def module
- deepmd_utils.model_format.se_e2_a module
- deepmd_utils.utils package
- Submodules
- deepmd_utils.utils.argcheck module
- deepmd_utils.utils.argcheck_nvnmd module
- deepmd_utils.utils.batch_size module
- deepmd_utils.utils.compat module
- deepmd_utils.utils.data module
- deepmd_utils.utils.data_system module
- deepmd_utils.utils.errors module
- deepmd_utils.utils.model_stat module
- deepmd_utils.utils.pair_tab module
- deepmd_utils.utils.path module
- deepmd_utils.utils.plugin module
- deepmd_utils.utils.random module
- deepmd_utils.utils.weight_avg module
- Submodules
- deepmd_utils.common module
- deepmd_utils.env module
- deepmd_utils.main module
- Subpackages