Python API
- deepmd package
DeepEval
DeepPotential()
DipoleChargeModifier
- Subpackages
- deepmd.cluster package
- deepmd.descriptor package
Descriptor
DescrptHybrid
DescrptLocFrame
DescrptSeA
DescrptSeAEbd
DescrptSeAEf
DescrptSeAEfLower
DescrptSeAMask
DescrptSeAtten
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_ef module
- deepmd.descriptor.se_a_mask module
- deepmd.descriptor.se_atten module
- deepmd.descriptor.se_r module
- deepmd.descriptor.se_t module
- deepmd.entrypoints package
compress()
config()
convert()
doc_train_input()
freeze()
make_model_devi()
neighbor_stat()
test()
train_dp()
transfer()
- Submodules
- deepmd.entrypoints.compress module
- deepmd.entrypoints.config module
- deepmd.entrypoints.convert module
- deepmd.entrypoints.doc module
- deepmd.entrypoints.freeze 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
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_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
- 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.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.pair_tab module
- deepmd.utils.parallel_op module
- deepmd.utils.path module
- deepmd.utils.plugin module
- deepmd.utils.random module
- deepmd.utils.sess 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