- data (deepmd.tf.utils.tabulate.DPTabulate attribute)
- data_bias_nsample (deepmd.tf.model.model.Model attribute)
- data_bias_nsample:
- data_dict (deepmd.tf.utils.data.DeepmdData attribute)
- data_dict:
- data_keys (deepmd.tf.train.trainer.DatasetLoader attribute)
- data_requirements (deepmd.tf.train.trainer.DPTrainer property)
- data_stat() (deepmd.tf.model.dos.DOSModel method)
- data_stat_nbatch (deepmd.tf.model.model.Model attribute)
- data_stat_nbatch:
- data_stat_protect (deepmd.tf.model.model.Model attribute)
- data_stat_protect:
- data_systems (deepmd.tf.utils.data_system.DeepmdDataSystem attribute)
- data_type (deepmd.pt.utils.tabulate.DPTabulate attribute)
- data_types (deepmd.tf.train.trainer.DatasetLoader attribute)
- dataloaders (deepmd.pt.utils.dataloader.DpLoaderSet attribute)
- DataRequirementItem (class in deepmd.utils.data)
- DatasetLoader (class in deepmd.tf.train.trainer)
- davg (deepmd.dpmodel.descriptor.DescrptSeA attribute)
- dec2bin() (deepmd.tf.nvnmd.utils.Encode method)
- decay_rate (deepmd.dpmodel.utils.learning_rate.LearningRateExp attribute)
- decay_rate:
- decay_steps (deepmd.dpmodel.utils.learning_rate.LearningRateExp attribute)
- decay_steps:
- decode_list_of_bytes() (in module deepmd.jax.jax2tf.tfmodel)
- deep_eval (deepmd.backend.backend.Backend property)
- DEEP_EVAL (deepmd.backend.backend.Backend.Feature attribute)
- deep_eval (deepmd.backend.dpmodel.DPModelBackend property)
- deep_layers (deepmd.pt.model.network.network.ResidualDeep attribute)
- DeepDipole (class in deepmd.infer.deep_dipole)
- DeepDOS (class in deepmd.infer.deep_dos)
- DeepEval (class in deepmd.dpmodel.infer.deep_eval)
- DeepEvalBackend (class in deepmd.infer.deep_eval)
- DeepEvalOld (class in deepmd.tf.infer.deep_eval)
- DeepGlobalPolar (class in deepmd.infer.deep_polar)
- deepmd
- deepmd.__main__
- deepmd.backend
- deepmd.backend.backend
- deepmd.backend.dpmodel
- deepmd.backend.jax
- deepmd.backend.pytorch
- deepmd.backend.suffix
- deepmd.backend.tensorflow
- deepmd.calculator
- deepmd.common
- deepmd.dpmodel
- deepmd.dpmodel.array_api
- deepmd.dpmodel.atomic_model
- deepmd.dpmodel.atomic_model.base_atomic_model
- deepmd.dpmodel.atomic_model.dipole_atomic_model
- deepmd.dpmodel.atomic_model.dos_atomic_model
- deepmd.dpmodel.atomic_model.dp_atomic_model
- deepmd.dpmodel.atomic_model.energy_atomic_model
- deepmd.dpmodel.atomic_model.linear_atomic_model
- deepmd.dpmodel.atomic_model.make_base_atomic_model
- deepmd.dpmodel.atomic_model.pairtab_atomic_model
- deepmd.dpmodel.atomic_model.polar_atomic_model
- deepmd.dpmodel.atomic_model.property_atomic_model
- deepmd.dpmodel.common
- deepmd.dpmodel.descriptor
- deepmd.dpmodel.descriptor.base_descriptor
- deepmd.dpmodel.descriptor.descriptor
- deepmd.dpmodel.descriptor.dpa1
- deepmd.dpmodel.descriptor.dpa2
- deepmd.dpmodel.descriptor.hybrid
- deepmd.dpmodel.descriptor.make_base_descriptor
- deepmd.dpmodel.descriptor.repformers
- deepmd.dpmodel.descriptor.se_atten_v2
- deepmd.dpmodel.descriptor.se_e2_a
- deepmd.dpmodel.descriptor.se_r
- deepmd.dpmodel.descriptor.se_t
- deepmd.dpmodel.descriptor.se_t_tebd
- deepmd.dpmodel.fitting
- deepmd.dpmodel.fitting.base_fitting
- deepmd.dpmodel.fitting.dipole_fitting
- deepmd.dpmodel.fitting.dos_fitting
- deepmd.dpmodel.fitting.ener_fitting
- deepmd.dpmodel.fitting.general_fitting
- deepmd.dpmodel.fitting.invar_fitting
- deepmd.dpmodel.fitting.make_base_fitting
- deepmd.dpmodel.fitting.polarizability_fitting
- deepmd.dpmodel.fitting.property_fitting
- deepmd.dpmodel.infer
- deepmd.dpmodel.infer.deep_eval
- deepmd.dpmodel.model
- deepmd.dpmodel.model.base_model
- deepmd.dpmodel.model.dipole_model
- deepmd.dpmodel.model.dos_model
- deepmd.dpmodel.model.dp_model
- deepmd.dpmodel.model.dp_zbl_model
- deepmd.dpmodel.model.ener_model
- deepmd.dpmodel.model.make_model
- deepmd.dpmodel.model.model
- deepmd.dpmodel.model.polar_model
- deepmd.dpmodel.model.property_model
- deepmd.dpmodel.model.spin_model
- deepmd.dpmodel.model.transform_output
- deepmd.dpmodel.output_def
- deepmd.dpmodel.utils
- deepmd.dpmodel.utils.batch_size
- deepmd.dpmodel.utils.env_mat
- deepmd.dpmodel.utils.exclude_mask
- deepmd.dpmodel.utils.learning_rate
- deepmd.dpmodel.utils.neighbor_stat
- deepmd.dpmodel.utils.network
- deepmd.dpmodel.utils.nlist
- deepmd.dpmodel.utils.region
- deepmd.dpmodel.utils.safe_gradient
- deepmd.dpmodel.utils.seed
- deepmd.dpmodel.utils.serialization
- deepmd.dpmodel.utils.type_embed
- deepmd.dpmodel.utils.update_sel
- deepmd.driver
- deepmd.entrypoints
- deepmd.entrypoints.convert_backend
- deepmd.entrypoints.doc
- deepmd.entrypoints.gui
- deepmd.entrypoints.main
- deepmd.entrypoints.neighbor_stat
- deepmd.entrypoints.show
- deepmd.entrypoints.test
- deepmd.env
- deepmd.infer
- deepmd.infer.deep_dipole
- deepmd.infer.deep_dos
- deepmd.infer.deep_eval
- deepmd.infer.deep_polar
- deepmd.infer.deep_pot
- deepmd.infer.deep_property
- deepmd.infer.deep_tensor
- deepmd.infer.deep_wfc
- deepmd.infer.model_devi
- deepmd.jax
- deepmd.jax.atomic_model
- deepmd.jax.atomic_model.base_atomic_model
- deepmd.jax.atomic_model.dipole_atomic_model
- deepmd.jax.atomic_model.dos_atomic_model
- deepmd.jax.atomic_model.dp_atomic_model
- deepmd.jax.atomic_model.energy_atomic_model
- deepmd.jax.atomic_model.linear_atomic_model
- deepmd.jax.atomic_model.pairtab_atomic_model
- deepmd.jax.atomic_model.polar_atomic_model
- deepmd.jax.atomic_model.property_atomic_model
- deepmd.jax.common
- deepmd.jax.descriptor
- deepmd.jax.descriptor.base_descriptor
- deepmd.jax.descriptor.dpa1
- deepmd.jax.descriptor.dpa2
- deepmd.jax.descriptor.hybrid
- deepmd.jax.descriptor.repformers
- deepmd.jax.descriptor.se_atten_v2
- deepmd.jax.descriptor.se_e2_a
- deepmd.jax.descriptor.se_e2_r
- deepmd.jax.descriptor.se_t
- deepmd.jax.descriptor.se_t_tebd
- deepmd.jax.env
- deepmd.jax.fitting
- deepmd.jax.fitting.base_fitting
- deepmd.jax.fitting.fitting
- deepmd.jax.infer
- deepmd.jax.infer.deep_eval
- deepmd.jax.jax2tf
- deepmd.jax.jax2tf.format_nlist
- deepmd.jax.jax2tf.make_model
- deepmd.jax.jax2tf.nlist
- deepmd.jax.jax2tf.region
- deepmd.jax.jax2tf.serialization
- deepmd.jax.jax2tf.tfmodel
- deepmd.jax.jax2tf.transform_output
- deepmd.jax.model
- deepmd.jax.model.base_model
- deepmd.jax.model.dipole_model
- deepmd.jax.model.dos_model
- deepmd.jax.model.dp_model
- deepmd.jax.model.dp_zbl_model
- deepmd.jax.model.ener_model
- deepmd.jax.model.hlo
- deepmd.jax.model.model
- deepmd.jax.model.polar_model
- deepmd.jax.model.property_model
- deepmd.jax.utils
- deepmd.jax.utils.auto_batch_size
- deepmd.jax.utils.exclude_mask
- deepmd.jax.utils.neighbor_stat
- deepmd.jax.utils.network
- deepmd.jax.utils.serialization
- deepmd.jax.utils.type_embed
- deepmd.loggers
- deepmd.loggers.loggers
- deepmd.loggers.training
- deepmd.main
- deepmd.pt
- deepmd.pt.cxx_op
- deepmd.pt.entrypoints
- deepmd.pt.entrypoints.compress
- deepmd.pt.entrypoints.main
- deepmd.pt.infer
- deepmd.pt.infer.deep_eval
- deepmd.pt.infer.inference
- deepmd.pt.loss
- deepmd.pt.loss.denoise
- deepmd.pt.loss.dos
- deepmd.pt.loss.ener
- deepmd.pt.loss.ener_spin
- deepmd.pt.loss.loss
- deepmd.pt.loss.property
- deepmd.pt.loss.tensor
- deepmd.pt.model
- deepmd.pt.model.atomic_model
- deepmd.pt.model.atomic_model.base_atomic_model
- deepmd.pt.model.atomic_model.dipole_atomic_model
- deepmd.pt.model.atomic_model.dos_atomic_model
- deepmd.pt.model.atomic_model.dp_atomic_model
- deepmd.pt.model.atomic_model.energy_atomic_model
- deepmd.pt.model.atomic_model.linear_atomic_model
- deepmd.pt.model.atomic_model.pairtab_atomic_model
- deepmd.pt.model.atomic_model.polar_atomic_model
- deepmd.pt.model.atomic_model.property_atomic_model
- deepmd.pt.model.descriptor
- deepmd.pt.model.descriptor.base_descriptor
- deepmd.pt.model.descriptor.descriptor
- deepmd.pt.model.descriptor.dpa1
- deepmd.pt.model.descriptor.dpa2
- deepmd.pt.model.descriptor.env_mat
- deepmd.pt.model.descriptor.hybrid
- deepmd.pt.model.descriptor.repformer_layer
- deepmd.pt.model.descriptor.repformers
- deepmd.pt.model.descriptor.se_a
- deepmd.pt.model.descriptor.se_atten
- deepmd.pt.model.descriptor.se_atten_v2
- deepmd.pt.model.descriptor.se_r
- deepmd.pt.model.descriptor.se_t
- deepmd.pt.model.descriptor.se_t_tebd
- deepmd.pt.model.model
- deepmd.pt.model.model.dipole_model
- deepmd.pt.model.model.dos_model
- deepmd.pt.model.model.dp_linear_model
- deepmd.pt.model.model.dp_model
- deepmd.pt.model.model.dp_zbl_model
- deepmd.pt.model.model.ener_model
- deepmd.pt.model.model.frozen
- deepmd.pt.model.model.make_hessian_model
- deepmd.pt.model.model.make_model
- deepmd.pt.model.model.model
- deepmd.pt.model.model.polar_model
- deepmd.pt.model.model.property_model
- deepmd.pt.model.model.spin_model
- deepmd.pt.model.model.transform_output
- deepmd.pt.model.network
- deepmd.pt.model.network.init
- deepmd.pt.model.network.layernorm
- deepmd.pt.model.network.mlp
- deepmd.pt.model.network.network
- deepmd.pt.model.task
- deepmd.pt.model.task.base_fitting
- deepmd.pt.model.task.denoise
- deepmd.pt.model.task.dipole
- deepmd.pt.model.task.dos
- deepmd.pt.model.task.ener
- deepmd.pt.model.task.fitting
- deepmd.pt.model.task.invar_fitting
- deepmd.pt.model.task.polarizability
- deepmd.pt.model.task.property
- deepmd.pt.model.task.task
- deepmd.pt.model.task.type_predict
- deepmd.pt.optimizer
- deepmd.pt.optimizer.KFWrapper
- deepmd.pt.optimizer.LKF
- deepmd.pt.train
- deepmd.pt.train.training
- deepmd.pt.train.wrapper
- deepmd.pt.utils
- deepmd.pt.utils.ase_calc
- deepmd.pt.utils.auto_batch_size
- deepmd.pt.utils.dataloader
- deepmd.pt.utils.dataset
- deepmd.pt.utils.dp_random
- deepmd.pt.utils.env
- deepmd.pt.utils.env_mat_stat
- deepmd.pt.utils.exclude_mask
- deepmd.pt.utils.finetune
- deepmd.pt.utils.learning_rate
- deepmd.pt.utils.multi_task
- deepmd.pt.utils.neighbor_stat
- deepmd.pt.utils.nlist
- deepmd.pt.utils.plugin
- deepmd.pt.utils.preprocess
- deepmd.pt.utils.region
- deepmd.pt.utils.serialization
- deepmd.pt.utils.spin
- deepmd.pt.utils.stat
- deepmd.pt.utils.tabulate
- deepmd.pt.utils.update_sel
- deepmd.pt.utils.utils
- deepmd.tf
- deepmd.tf.__about__
- deepmd.tf.__main__
- deepmd.tf.calculator
- deepmd.tf.cluster
- deepmd.tf.cluster.local
- deepmd.tf.common
- deepmd.tf.descriptor
- deepmd.tf.descriptor.descriptor
- deepmd.tf.descriptor.hybrid
- deepmd.tf.descriptor.loc_frame
- deepmd.tf.descriptor.se
- deepmd.tf.descriptor.se_a
- deepmd.tf.descriptor.se_a_ebd
- deepmd.tf.descriptor.se_a_ebd_v2
- deepmd.tf.descriptor.se_a_ef
- deepmd.tf.descriptor.se_a_mask
- deepmd.tf.descriptor.se_atten
- deepmd.tf.descriptor.se_atten_v2
- deepmd.tf.descriptor.se_r
- deepmd.tf.descriptor.se_t
- deepmd.tf.entrypoints
- deepmd.tf.entrypoints.compress
- deepmd.tf.entrypoints.convert
- deepmd.tf.entrypoints.doc
- deepmd.tf.entrypoints.freeze
- deepmd.tf.entrypoints.gui
- deepmd.tf.entrypoints.ipi
- deepmd.tf.entrypoints.main
- deepmd.tf.entrypoints.neighbor_stat
- deepmd.tf.entrypoints.test
- deepmd.tf.entrypoints.train
- deepmd.tf.entrypoints.transfer
- deepmd.tf.env
- deepmd.tf.env.op_grads_module
- deepmd.tf.env.op_module
- deepmd.tf.fit
- deepmd.tf.fit.dipole
- deepmd.tf.fit.dos
- deepmd.tf.fit.ener
- deepmd.tf.fit.fitting
- deepmd.tf.fit.polar
- deepmd.tf.infer
- deepmd.tf.infer.data_modifier
- deepmd.tf.infer.deep_dipole
- deepmd.tf.infer.deep_dos
- deepmd.tf.infer.deep_eval
- deepmd.tf.infer.deep_polar
- deepmd.tf.infer.deep_pot
- deepmd.tf.infer.deep_tensor
- deepmd.tf.infer.deep_wfc
- deepmd.tf.infer.ewald_recp
- deepmd.tf.infer.model_devi
- deepmd.tf.lmp
- deepmd.tf.loggers
- deepmd.tf.loggers.loggers
- deepmd.tf.loss
- deepmd.tf.loss.dos
- deepmd.tf.loss.ener
- deepmd.tf.loss.loss
- deepmd.tf.loss.tensor
- deepmd.tf.model
- deepmd.tf.model.dos
- deepmd.tf.model.ener
- deepmd.tf.model.frozen
- deepmd.tf.model.linear
- deepmd.tf.model.model
- deepmd.tf.model.model_stat
- deepmd.tf.model.pairtab
- deepmd.tf.model.pairwise_dprc
- deepmd.tf.model.tensor
- deepmd.tf.nvnmd
- deepmd.tf.nvnmd.data
- deepmd.tf.nvnmd.data.data
- deepmd.tf.nvnmd.descriptor
- deepmd.tf.nvnmd.descriptor.se_a
- deepmd.tf.nvnmd.descriptor.se_atten
- deepmd.tf.nvnmd.entrypoints
- deepmd.tf.nvnmd.entrypoints.freeze
- deepmd.tf.nvnmd.entrypoints.mapt
- deepmd.tf.nvnmd.entrypoints.train
- deepmd.tf.nvnmd.entrypoints.wrap
- deepmd.tf.nvnmd.fit
- deepmd.tf.nvnmd.fit.ener
- deepmd.tf.nvnmd.utils
- deepmd.tf.nvnmd.utils.argcheck
- deepmd.tf.nvnmd.utils.config
- deepmd.tf.nvnmd.utils.encode
- deepmd.tf.nvnmd.utils.fio
- deepmd.tf.nvnmd.utils.network
- deepmd.tf.nvnmd.utils.op
- deepmd.tf.nvnmd.utils.weight
- deepmd.tf.op
- deepmd.tf.op._add_flt_nvnmd_grad
- deepmd.tf.op._copy_flt_nvnmd_grad
- deepmd.tf.op._dotmul_flt_nvnmd_grad
- deepmd.tf.op._flt_nvnmd_grad
- deepmd.tf.op._gelu
- deepmd.tf.op._map_flt_nvnmd_grad
- deepmd.tf.op._matmul_fitnet_nvnmd_grad
- deepmd.tf.op._matmul_flt2fix_nvnmd
- deepmd.tf.op._matmul_flt_nvnmd_grad
- deepmd.tf.op._mul_flt_nvnmd_grad
- deepmd.tf.op._prod_force_grad
- deepmd.tf.op._prod_force_se_a_grad
- deepmd.tf.op._prod_force_se_a_mask_grad
- deepmd.tf.op._prod_force_se_r_grad
- deepmd.tf.op._prod_virial_grad
- deepmd.tf.op._prod_virial_se_a_grad
- deepmd.tf.op._prod_virial_se_r_grad
- deepmd.tf.op._quantize_nvnmd_grad
- deepmd.tf.op._soft_min_force_grad
- deepmd.tf.op._soft_min_virial_grad
- deepmd.tf.op._tabulate_grad
- deepmd.tf.op._tanh4_flt_nvnmd_grad
- deepmd.tf.train
- deepmd.tf.train.run_options
- deepmd.tf.train.trainer
- deepmd.tf.utils
- deepmd.tf.utils.argcheck
- deepmd.tf.utils.batch_size
- deepmd.tf.utils.compat
- deepmd.tf.utils.compress
- deepmd.tf.utils.convert
- deepmd.tf.utils.data
- deepmd.tf.utils.data_system
- deepmd.tf.utils.errors
- deepmd.tf.utils.finetune
- deepmd.tf.utils.graph
- deepmd.tf.utils.learning_rate
- deepmd.tf.utils.neighbor_stat
- deepmd.tf.utils.network
- deepmd.tf.utils.nlist
- deepmd.tf.utils.pair_tab
- deepmd.tf.utils.parallel_op
- deepmd.tf.utils.path
- deepmd.tf.utils.plugin
- deepmd.tf.utils.random
- deepmd.tf.utils.region
- deepmd.tf.utils.serialization
- deepmd.tf.utils.sess
- deepmd.tf.utils.spin
- deepmd.tf.utils.tabulate
- deepmd.tf.utils.type_embed
- deepmd.tf.utils.update_sel
- deepmd.tf.utils.weight_avg
- deepmd.utils
- deepmd.utils.argcheck
- deepmd.utils.argcheck_nvnmd
- deepmd.utils.batch_size
- deepmd.utils.compat
- deepmd.utils.data
- deepmd.utils.data_system
- deepmd.utils.econf_embd
- deepmd.utils.entry_point
- deepmd.utils.env_mat_stat
- deepmd.utils.errors
- deepmd.utils.finetune
- deepmd.utils.hostlist
- deepmd.utils.model_stat
- deepmd.utils.neighbor_stat
- deepmd.utils.out_stat
- deepmd.utils.pair_tab
- deepmd.utils.path
- deepmd.utils.plugin
- deepmd.utils.random
- deepmd.utils.spin
- deepmd.utils.summary
- deepmd.utils.tabulate
- deepmd.utils.update_sel
- deepmd.utils.version
- deepmd.utils.weight_avg
- deepmd::AtomMap (C++ class)
- deepmd::AtomMap::AtomMap (C++ function), [1]
- deepmd::AtomMap::backward (C++ function)
- deepmd::AtomMap::forward (C++ function)
- deepmd::AtomMap::get_bkw_map (C++ function)
- deepmd::AtomMap::get_fwd_map (C++ function)
- deepmd::AtomMap::get_type (C++ function)
- deepmd::build_nlist_cpu (C++ function)
- deepmd::build_nlist_gpu (C++ function)
- deepmd::check_status (C++ function)
- deepmd::compute_cell_info (C++ function)
- deepmd::convert_nlist (C++ function)
- deepmd::convert_nlist_gpu_device (C++ function)
- deepmd::convert_pbtxt_to_pb (C++ function)
- deepmd::convert_to_inter_cpu (C++ function)
- deepmd::convert_to_inter_gpu (C++ function)
- deepmd::convert_to_phys_cpu (C++ function)
- deepmd::convert_to_phys_gpu (C++ function)
- deepmd::copy_coord_cpu (C++ function)
- deepmd::copy_coord_gpu (C++ function)
- deepmd::cos_switch (C++ function), [1]
- deepmd::cprod (C++ function)
- deepmd::cum_sum (C++ function)
- deepmd::DeepBaseModel (C++ class)
- deepmd::DeepBaseModel::cutoff (C++ function)
- deepmd::DeepBaseModel::DeepBaseModel (C++ function), [1]
- deepmd::DeepBaseModel::dim_aparam (C++ function)
- deepmd::DeepBaseModel::dim_fparam (C++ function)
- deepmd::DeepBaseModel::dpbase (C++ member)
- deepmd::DeepBaseModel::get_type_map (C++ function)
- deepmd::DeepBaseModel::inited (C++ member)
- deepmd::DeepBaseModel::is_aparam_nall (C++ function)
- deepmd::DeepBaseModel::numb_types (C++ function)
- deepmd::DeepBaseModel::numb_types_spin (C++ function)
- deepmd::DeepBaseModel::print_summary (C++ function)
- deepmd::DeepBaseModel::~DeepBaseModel (C++ function)
- deepmd::DeepBaseModelBackend (C++ class)
- deepmd::DeepBaseModelBackend::cutoff (C++ function)
- deepmd::DeepBaseModelBackend::DeepBaseModelBackend (C++ function), [1]
- deepmd::DeepBaseModelBackend::dim_aparam (C++ function)
- deepmd::DeepBaseModelBackend::dim_fparam (C++ function)
- deepmd::DeepBaseModelBackend::get_type_map (C++ function)
- deepmd::DeepBaseModelBackend::init (C++ function)
- deepmd::DeepBaseModelBackend::is_aparam_nall (C++ function)
- deepmd::DeepBaseModelBackend::numb_types (C++ function)
- deepmd::DeepBaseModelBackend::numb_types_spin (C++ function)
- deepmd::DeepBaseModelBackend::~DeepBaseModelBackend (C++ function)
- deepmd::DeepBaseModelDevi (C++ class)
- deepmd::DeepBaseModelDevi::compute_avg (C++ function), [1]
- deepmd::DeepBaseModelDevi::compute_relative_std (C++ function)
- deepmd::DeepBaseModelDevi::compute_relative_std_f (C++ function)
- deepmd::DeepBaseModelDevi::compute_std (C++ function)
- deepmd::DeepBaseModelDevi::compute_std_e (C++ function)
- deepmd::DeepBaseModelDevi::compute_std_f (C++ function)
- deepmd::DeepBaseModelDevi::cutoff (C++ function)
- deepmd::DeepBaseModelDevi::DeepBaseModelDevi (C++ function)
- deepmd::DeepBaseModelDevi::dim_aparam (C++ function)
- deepmd::DeepBaseModelDevi::dim_fparam (C++ function)
- deepmd::DeepBaseModelDevi::dpbases (C++ member)
- deepmd::DeepBaseModelDevi::inited (C++ member)
- deepmd::DeepBaseModelDevi::is_aparam_nall (C++ function)
- deepmd::DeepBaseModelDevi::numb_models (C++ member)
- deepmd::DeepBaseModelDevi::numb_types (C++ function)
- deepmd::DeepBaseModelDevi::numb_types_spin (C++ function)
- deepmd::DeepBaseModelDevi::~DeepBaseModelDevi (C++ function)
- deepmd::deepmd_exception (C++ struct), [1]
- deepmd::deepmd_exception::deepmd_exception (C++ function), [1]
- deepmd::deepmd_exception_oom (C++ struct)
- deepmd::deepmd_exception_oom::deepmd_exception_oom (C++ function), [1]
- deepmd::DeepPot (C++ class)
- deepmd::DeepPot::compute (C++ function), [1], [2], [3], [4], [5], [6], [7]
- deepmd::DeepPot::compute_mixed_type (C++ function), [1], [2], [3]
- deepmd::DeepPot::DeepPot (C++ function), [1]
- deepmd::DeepPot::dp (C++ member)
- deepmd::DeepPot::init (C++ function)
- deepmd::DeepPot::~DeepPot (C++ function)
- deepmd::DeepPotBackend (C++ class)
- deepmd::DeepPotBackend::computew (C++ function), [1], [2], [3]
- deepmd::DeepPotBackend::computew_mixed_type (C++ function), [1]
- deepmd::DeepPotBackend::DeepPotBackend (C++ function), [1]
- deepmd::DeepPotBackend::init (C++ function)
- deepmd::DeepPotBackend::~DeepPotBackend (C++ function)
- deepmd::DeepPotJAX (C++ class)
- deepmd::DeepPotJAX::computew (C++ function), [1], [2], [3]
- deepmd::DeepPotJAX::computew_mixed_type (C++ function), [1]
- deepmd::DeepPotJAX::cutoff (C++ function)
- deepmd::DeepPotJAX::DeepPotJAX (C++ function), [1]
- deepmd::DeepPotJAX::dim_aparam (C++ function)
- deepmd::DeepPotJAX::dim_fparam (C++ function)
- deepmd::DeepPotJAX::get_type_map (C++ function)
- deepmd::DeepPotJAX::init (C++ function)
- deepmd::DeepPotJAX::is_aparam_nall (C++ function)
- deepmd::DeepPotJAX::numb_types (C++ function)
- deepmd::DeepPotJAX::numb_types_spin (C++ function)
- deepmd::DeepPotJAX::~DeepPotJAX (C++ function)
- deepmd::DeepPotModelDevi (C++ class)
- deepmd::DeepPotModelDevi::compute (C++ function), [1], [2], [3]
- deepmd::DeepPotModelDevi::DeepPotModelDevi (C++ function), [1]
- deepmd::DeepPotModelDevi::dps (C++ member)
- deepmd::DeepPotModelDevi::init (C++ function)
- deepmd::DeepPotModelDevi::~DeepPotModelDevi (C++ function)
- deepmd::DeepPotPT (C++ class)
- deepmd::DeepPotPT::computew (C++ function), [1], [2], [3]
- deepmd::DeepPotPT::computew_mixed_type (C++ function), [1]
- deepmd::DeepPotPT::cutoff (C++ function)
- deepmd::DeepPotPT::DeepPotPT (C++ function), [1]
- deepmd::DeepPotPT::dim_aparam (C++ function)
- deepmd::DeepPotPT::dim_fparam (C++ function)
- deepmd::DeepPotPT::get_type_map (C++ function)
- deepmd::DeepPotPT::init (C++ function)
- deepmd::DeepPotPT::is_aparam_nall (C++ function)
- deepmd::DeepPotPT::numb_types (C++ function)
- deepmd::DeepPotPT::numb_types_spin (C++ function)
- deepmd::DeepPotPT::~DeepPotPT (C++ function)
- deepmd::DeepPotTF (C++ class)
- deepmd::DeepPotTF::computew (C++ function), [1], [2], [3]
- deepmd::DeepPotTF::computew_mixed_type (C++ function), [1]
- deepmd::DeepPotTF::cutoff (C++ function)
- deepmd::DeepPotTF::DeepPotTF (C++ function), [1]
- deepmd::DeepPotTF::dim_aparam (C++ function)
- deepmd::DeepPotTF::dim_fparam (C++ function)
- deepmd::DeepPotTF::get_type_map (C++ function)
- deepmd::DeepPotTF::init (C++ function)
- deepmd::DeepPotTF::is_aparam_nall (C++ function)
- deepmd::DeepPotTF::numb_types (C++ function)
- deepmd::DeepPotTF::numb_types_spin (C++ function)
- deepmd::DeepPotTF::~DeepPotTF (C++ function)
- deepmd::DeepSpin (C++ class)
- deepmd::DeepSpin::compute (C++ function), [1], [2], [3], [4], [5], [6], [7]
- deepmd::DeepSpin::DeepSpin (C++ function), [1]
- deepmd::DeepSpin::dp (C++ member)
- deepmd::DeepSpin::init (C++ function)
- deepmd::DeepSpin::~DeepSpin (C++ function)
- deepmd::DeepSpinBackend (C++ class)
- deepmd::DeepSpinBackend::computew (C++ function), [1], [2], [3]
- deepmd::DeepSpinBackend::DeepSpinBackend (C++ function), [1]
- deepmd::DeepSpinBackend::init (C++ function)
- deepmd::DeepSpinBackend::~DeepSpinBackend (C++ function)
- deepmd::DeepSpinModelDevi (C++ class)
- deepmd::DeepSpinModelDevi::compute (C++ function), [1], [2], [3]
- deepmd::DeepSpinModelDevi::DeepSpinModelDevi (C++ function), [1]
- deepmd::DeepSpinModelDevi::dps (C++ member)
- deepmd::DeepSpinModelDevi::init (C++ function)
- deepmd::DeepSpinModelDevi::~DeepSpinModelDevi (C++ function)
- deepmd::DeepSpinPT (C++ class)
- deepmd::DeepSpinPT::computew (C++ function), [1], [2], [3]
- deepmd::DeepSpinPT::cutoff (C++ function)
- deepmd::DeepSpinPT::DeepSpinPT (C++ function), [1]
- deepmd::DeepSpinPT::dim_aparam (C++ function)
- deepmd::DeepSpinPT::dim_fparam (C++ function)
- deepmd::DeepSpinPT::get_type_map (C++ function)
- deepmd::DeepSpinPT::init (C++ function)
- deepmd::DeepSpinPT::is_aparam_nall (C++ function)
- deepmd::DeepSpinPT::numb_types (C++ function)
- deepmd::DeepSpinPT::numb_types_spin (C++ function)
- deepmd::DeepSpinPT::~DeepSpinPT (C++ function)
- deepmd::DeepSpinTF (C++ class)
- deepmd::DeepSpinTF::computew (C++ function), [1], [2], [3]
- deepmd::DeepSpinTF::cum_sum (C++ function)
- deepmd::DeepSpinTF::cutoff (C++ function)
- deepmd::DeepSpinTF::DeepSpinTF (C++ function), [1]
- deepmd::DeepSpinTF::dim_aparam (C++ function)
- deepmd::DeepSpinTF::dim_fparam (C++ function)
- deepmd::DeepSpinTF::extend (C++ function)
- deepmd::DeepSpinTF::extend_nlist (C++ function)
- deepmd::DeepSpinTF::get_type_map (C++ function)
- deepmd::DeepSpinTF::init (C++ function)
- deepmd::DeepSpinTF::is_aparam_nall (C++ function)
- deepmd::DeepSpinTF::numb_types (C++ function)
- deepmd::DeepSpinTF::numb_types_spin (C++ function)
- deepmd::DeepSpinTF::~DeepSpinTF (C++ function)
- deepmd::DeepTensor (C++ class)
- deepmd::DeepTensor::compute (C++ function), [1], [2], [3], [4], [5]
- deepmd::DeepTensor::cutoff (C++ function)
- deepmd::DeepTensor::DeepTensor (C++ function), [1]
- deepmd::DeepTensor::get_type_map (C++ function)
- deepmd::DeepTensor::init (C++ function)
- deepmd::DeepTensor::numb_types (C++ function)
- deepmd::DeepTensor::output_dim (C++ function)
- deepmd::DeepTensor::print_summary (C++ function)
- deepmd::DeepTensor::sel_types (C++ function)
- deepmd::DeepTensor::~DeepTensor (C++ function)
- deepmd::DeepTensorBase (C++ class)
- deepmd::DeepTensorBase::computew (C++ function), [1], [2], [3]
- deepmd::DeepTensorBase::cutoff (C++ function)
- deepmd::DeepTensorBase::DeepTensorBase (C++ function), [1]
- deepmd::DeepTensorBase::get_type_map (C++ function)
- deepmd::DeepTensorBase::init (C++ function)
- deepmd::DeepTensorBase::numb_types (C++ function)
- deepmd::DeepTensorBase::output_dim (C++ function)
- deepmd::DeepTensorBase::sel_types (C++ function)
- deepmd::DeepTensorBase::~DeepTensorBase (C++ function)
- deepmd::DeepTensorTF (C++ class)
- deepmd::DeepTensorTF::computew (C++ function), [1], [2], [3]
- deepmd::DeepTensorTF::cutoff (C++ function)
- deepmd::DeepTensorTF::DeepTensorTF (C++ function), [1]
- deepmd::DeepTensorTF::get_type_map (C++ function)
- deepmd::DeepTensorTF::init (C++ function)
- deepmd::DeepTensorTF::numb_types (C++ function)
- deepmd::DeepTensorTF::output_dim (C++ function)
- deepmd::DeepTensorTF::sel_types (C++ function)
- deepmd::DeepTensorTF::~DeepTensorTF (C++ function)
- deepmd::delete_device_memory (C++ function)
- deepmd::DipoleChargeModifier (C++ class)
- deepmd::DipoleChargeModifier::compute (C++ function)
| - deepmd::DipoleChargeModifier::cutoff (C++ function)
- deepmd::DipoleChargeModifier::DipoleChargeModifier (C++ function), [1]
- deepmd::DipoleChargeModifier::init (C++ function)
- deepmd::DipoleChargeModifier::numb_types (C++ function)
- deepmd::DipoleChargeModifier::print_summary (C++ function)
- deepmd::DipoleChargeModifier::sel_types (C++ function)
- deepmd::DipoleChargeModifier::~DipoleChargeModifier (C++ function)
- deepmd::DipoleChargeModifierBase (C++ class)
- deepmd::DipoleChargeModifierBase::computew (C++ function), [1]
- deepmd::DipoleChargeModifierBase::cutoff (C++ function)
- deepmd::DipoleChargeModifierBase::DipoleChargeModifierBase (C++ function), [1]
- deepmd::DipoleChargeModifierBase::init (C++ function)
- deepmd::DipoleChargeModifierBase::numb_types (C++ function)
- deepmd::DipoleChargeModifierBase::sel_types (C++ function)
- deepmd::DipoleChargeModifierBase::~DipoleChargeModifierBase (C++ function)
- deepmd::DipoleChargeModifierTF (C++ class)
- deepmd::DipoleChargeModifierTF::computew (C++ function), [1]
- deepmd::DipoleChargeModifierTF::cutoff (C++ function)
- deepmd::DipoleChargeModifierTF::DipoleChargeModifierTF (C++ function), [1]
- deepmd::DipoleChargeModifierTF::init (C++ function)
- deepmd::DipoleChargeModifierTF::numb_types (C++ function)
- deepmd::DipoleChargeModifierTF::sel_types (C++ function)
- deepmd::DipoleChargeModifierTF::~DipoleChargeModifierTF (C++ function)
- deepmd::dot1 (C++ function)
- deepmd::dot2 (C++ function)
- deepmd::dot3 (C++ function)
- deepmd::dot4 (C++ function)
- deepmd::dotmv3 (C++ function)
- deepmd::DPBackend (C++ enum)
- deepmd::DPBackend::JAX (C++ enumerator)
- deepmd::DPBackend::Paddle (C++ enumerator)
- deepmd::DPBackend::PyTorch (C++ enumerator)
- deepmd::DPBackend::TensorFlow (C++ enumerator)
- deepmd::DPBackend::Unknown (C++ enumerator)
- deepmd::DPGetDeviceCount (C++ function)
- deepmd::dprc_pairwise_map_cpu (C++ function)
- deepmd::DPSetDevice (C++ function)
- deepmd::ElectrostaticConvertion (C++ member)
- deepmd::ENERGYTYPE (C++ type)
- deepmd::env_mat_a_cpu (C++ function)
- deepmd::env_mat_a_nvnmd_quantize_cpu (C++ function)
- deepmd::env_mat_nbor_update (C++ function)
- deepmd::env_mat_r_cpu (C++ function)
- deepmd::ewald_recp (C++ function)
- deepmd::EwaldParameters (C++ struct)
- deepmd::EwaldParameters::beta (C++ member)
- deepmd::EwaldParameters::rcut (C++ member)
- deepmd::EwaldParameters::spacing (C++ member)
- deepmd::filter_ftype_gpu (C++ function)
- deepmd::format_nbor_list_gpu (C++ function)
- deepmd::format_nlist_cpu (C++ function)
- deepmd::free_nlist_gpu_device (C++ function)
- deepmd::gelu_cpu (C++ function)
- deepmd::gelu_gpu (C++ function)
- deepmd::gelu_grad_cpu (C++ function)
- deepmd::gelu_grad_gpu (C++ function)
- deepmd::gelu_grad_grad_cpu (C++ function)
- deepmd::gelu_grad_grad_gpu (C++ function)
- deepmd::get_backend (C++ function)
- deepmd::get_env_nthreads (C++ function)
- deepmd::group_atoms_cpu (C++ function)
- deepmd::hpp::convert_nlist (C++ function)
- deepmd::hpp::convert_pbtxt_to_pb (C++ function)
- deepmd::hpp::DeepBaseModel (C++ class)
- deepmd::hpp::DeepBaseModel::aparam_nall (C++ member)
- deepmd::hpp::DeepBaseModel::cutoff (C++ function)
- deepmd::hpp::DeepBaseModel::daparam (C++ member)
- deepmd::hpp::DeepBaseModel::DeepBaseModel (C++ function)
- deepmd::hpp::DeepBaseModel::dfparam (C++ member)
- deepmd::hpp::DeepBaseModel::dim_aparam (C++ function)
- deepmd::hpp::DeepBaseModel::dim_fparam (C++ function)
- deepmd::hpp::DeepBaseModel::dpbase (C++ member)
- deepmd::hpp::DeepBaseModel::get_type_map (C++ function)
- deepmd::hpp::DeepBaseModel::numb_types (C++ function)
- deepmd::hpp::DeepBaseModel::numb_types_spin (C++ function)
- deepmd::hpp::DeepBaseModel::print_summary (C++ function)
- deepmd::hpp::DeepBaseModel::tile_fparam_aparam (C++ function)
- deepmd::hpp::DeepBaseModel::validate_fparam_aparam (C++ function)
- deepmd::hpp::DeepBaseModel::~DeepBaseModel (C++ function)
- deepmd::hpp::DeepBaseModelDevi (C++ class)
- deepmd::hpp::DeepBaseModelDevi::aparam_nall (C++ member)
- deepmd::hpp::DeepBaseModelDevi::compute_avg (C++ function)
- deepmd::hpp::DeepBaseModelDevi::compute_relative_std (C++ function)
- deepmd::hpp::DeepBaseModelDevi::compute_relative_std_f (C++ function)
- deepmd::hpp::DeepBaseModelDevi::compute_std (C++ function)
- deepmd::hpp::DeepBaseModelDevi::compute_std_f (C++ function)
- deepmd::hpp::DeepBaseModelDevi::cutoff (C++ function)
- deepmd::hpp::DeepBaseModelDevi::daparam (C++ member)
- deepmd::hpp::DeepBaseModelDevi::DeepBaseModelDevi (C++ function)
- deepmd::hpp::DeepBaseModelDevi::dfparam (C++ member)
- deepmd::hpp::DeepBaseModelDevi::dim_aparam (C++ function)
- deepmd::hpp::DeepBaseModelDevi::dim_fparam (C++ function)
- deepmd::hpp::DeepBaseModelDevi::dpbase (C++ member)
- deepmd::hpp::DeepBaseModelDevi::numb_models (C++ member)
- deepmd::hpp::DeepBaseModelDevi::numb_types (C++ function)
- deepmd::hpp::DeepBaseModelDevi::numb_types_spin (C++ function)
- deepmd::hpp::DeepBaseModelDevi::tile_fparam_aparam (C++ function)
- deepmd::hpp::DeepBaseModelDevi::validate_fparam_aparam (C++ function)
- deepmd::hpp::DeepBaseModelDevi::~DeepBaseModelDevi (C++ function)
- deepmd::hpp::deepmd_exception (C++ struct)
- deepmd::hpp::deepmd_exception::deepmd_exception (C++ function), [1]
- deepmd::hpp::DeepPot (C++ class)
- deepmd::hpp::DeepPot::compute (C++ function), [1], [2], [3]
- deepmd::hpp::DeepPot::compute_mixed_type (C++ function), [1]
- deepmd::hpp::DeepPot::DeepPot (C++ function), [1]
- deepmd::hpp::DeepPot::init (C++ function)
- deepmd::hpp::DeepPot::~DeepPot (C++ function)
- deepmd::hpp::DeepPotModelDevi (C++ class)
- deepmd::hpp::DeepPotModelDevi::compute (C++ function), [1], [2], [3]
- deepmd::hpp::DeepPotModelDevi::DeepPotModelDevi (C++ function), [1]
- deepmd::hpp::DeepPotModelDevi::init (C++ function)
- deepmd::hpp::DeepPotModelDevi::~DeepPotModelDevi (C++ function)
- deepmd::hpp::DeepSpin (C++ class)
- deepmd::hpp::DeepSpin::compute (C++ function), [1], [2], [3]
- deepmd::hpp::DeepSpin::DeepSpin (C++ function), [1]
- deepmd::hpp::DeepSpin::init (C++ function)
- deepmd::hpp::DeepSpin::~DeepSpin (C++ function)
- deepmd::hpp::DeepSpinModelDevi (C++ class)
- deepmd::hpp::DeepSpinModelDevi::compute (C++ function), [1], [2], [3]
- deepmd::hpp::DeepSpinModelDevi::DeepSpinModelDevi (C++ function), [1]
- deepmd::hpp::DeepSpinModelDevi::init (C++ function)
- deepmd::hpp::DeepSpinModelDevi::~DeepSpinModelDevi (C++ function)
- deepmd::hpp::DeepTensor (C++ class)
- deepmd::hpp::DeepTensor::compute (C++ function), [1], [2], [3], [4], [5]
- deepmd::hpp::DeepTensor::cutoff (C++ function)
- deepmd::hpp::DeepTensor::DeepTensor (C++ function), [1]
- deepmd::hpp::DeepTensor::get_type_map (C++ function)
- deepmd::hpp::DeepTensor::init (C++ function)
- deepmd::hpp::DeepTensor::numb_types (C++ function)
- deepmd::hpp::DeepTensor::output_dim (C++ function)
- deepmd::hpp::DeepTensor::print_summary (C++ function)
- deepmd::hpp::DeepTensor::sel_types (C++ function)
- deepmd::hpp::DeepTensor::~DeepTensor (C++ function)
- deepmd::hpp::DipoleChargeModifier (C++ class)
- deepmd::hpp::DipoleChargeModifier::compute (C++ function)
- deepmd::hpp::DipoleChargeModifier::cutoff (C++ function)
- deepmd::hpp::DipoleChargeModifier::DipoleChargeModifier (C++ function), [1]
- deepmd::hpp::DipoleChargeModifier::init (C++ function)
- deepmd::hpp::DipoleChargeModifier::numb_types (C++ function)
- deepmd::hpp::DipoleChargeModifier::print_summary (C++ function)
- deepmd::hpp::DipoleChargeModifier::sel_types (C++ function)
- deepmd::hpp::DipoleChargeModifier::~DipoleChargeModifier (C++ function)
- deepmd::hpp::InputNlist (C++ struct)
- deepmd::hpp::InputNlist::firstneigh (C++ member)
- deepmd::hpp::InputNlist::ilist (C++ member)
- deepmd::hpp::InputNlist::InputNlist (C++ function), [1], [2]
- deepmd::hpp::InputNlist::inum (C++ member)
- deepmd::hpp::InputNlist::nl (C++ member)
- deepmd::hpp::InputNlist::numneigh (C++ member)
- deepmd::hpp::InputNlist::set_mapping (C++ function)
- deepmd::hpp::InputNlist::set_mask (C++ function)
- deepmd::hpp::InputNlist::~InputNlist (C++ function)
- deepmd::hpp::read_file_to_string (C++ function)
- deepmd::hpp::select_by_type (C++ function)
- deepmd::hpp::select_map (C++ function)
- deepmd::init_region_cpu (C++ function)
- deepmd::InputNlist (C++ struct)
- deepmd::InputNlist::firstneigh (C++ member)
- deepmd::InputNlist::firstrecv (C++ member)
- deepmd::InputNlist::ilist (C++ member)
- deepmd::InputNlist::InputNlist (C++ function), [1], [2]
- deepmd::InputNlist::inum (C++ member)
- deepmd::InputNlist::mapping (C++ member)
- deepmd::InputNlist::mask (C++ member)
- deepmd::InputNlist::nswap (C++ member)
- deepmd::InputNlist::numneigh (C++ member)
- deepmd::InputNlist::recvnum (C++ member)
- deepmd::InputNlist::recvproc (C++ member)
- deepmd::InputNlist::sendlist (C++ member)
- deepmd::InputNlist::sendnum (C++ member)
- deepmd::InputNlist::sendproc (C++ member)
- deepmd::InputNlist::set_mapping (C++ function)
- deepmd::InputNlist::set_mask (C++ function)
- deepmd::InputNlist::world (C++ member)
- deepmd::InputNlist::~InputNlist (C++ function)
- deepmd::invsqrt (C++ function)
- deepmd::invsqrt<double> (C++ function)
- deepmd::invsqrt<float> (C++ function)
- deepmd::load_op_library (C++ function)
- deepmd::malloc_device_memory (C++ function), [1], [2]
- deepmd::malloc_device_memory_sync (C++ function), [1], [2]
- deepmd::map_aparam_cpu (C++ function)
- deepmd::max_numneigh (C++ function)
- deepmd::memcpy_device_to_host (C++ function), [1]
- deepmd::memcpy_host_to_device (C++ function), [1], [2]
- deepmd::memset_device_memory (C++ function)
- deepmd::model_compatable (C++ function)
- deepmd::name_prefix (C++ function)
- deepmd::neighbor_stat_gpu (C++ function)
- deepmd::NeighborListData (C++ struct)
- deepmd::NeighborListData::copy_from_nlist (C++ function)
- deepmd::NeighborListData::firstneigh (C++ member)
- deepmd::NeighborListData::ilist (C++ member)
- deepmd::NeighborListData::jlist (C++ member)
- deepmd::NeighborListData::make_inlist (C++ function)
- deepmd::NeighborListData::numneigh (C++ member)
- deepmd::NeighborListData::padding (C++ function)
- deepmd::NeighborListData::shuffle (C++ function), [1]
- deepmd::NeighborListData::shuffle_exclude_empty (C++ function)
- deepmd::normalize_coord_cpu (C++ function)
- deepmd::normalize_coord_gpu (C++ function)
- deepmd::pair_tab_cpu (C++ function)
- deepmd::print_summary (C++ function)
- deepmd::prod_env_mat_a_cpu (C++ function)
- deepmd::prod_env_mat_a_gpu (C++ function)
- deepmd::prod_env_mat_a_nvnmd_quantize_cpu (C++ function)
- deepmd::prod_env_mat_r_cpu (C++ function)
- deepmd::prod_env_mat_r_gpu (C++ function)
- deepmd::prod_force_a_cpu (C++ function), [1]
- deepmd::prod_force_a_gpu (C++ function)
- deepmd::prod_force_grad_a_cpu (C++ function)
- deepmd::prod_force_grad_a_gpu (C++ function)
- deepmd::prod_force_grad_r_cpu (C++ function)
- deepmd::prod_force_grad_r_gpu (C++ function)
- deepmd::prod_force_r_cpu (C++ function)
- deepmd::prod_force_r_gpu (C++ function)
- deepmd::prod_virial_a_cpu (C++ function)
- deepmd::prod_virial_a_gpu (C++ function)
- deepmd::prod_virial_grad_a_cpu (C++ function)
- deepmd::prod_virial_grad_a_gpu (C++ function)
- deepmd::prod_virial_grad_r_cpu (C++ function)
- deepmd::prod_virial_grad_r_gpu (C++ function)
- deepmd::prod_virial_r_cpu (C++ function)
- deepmd::prod_virial_r_gpu (C++ function)
- deepmd::read_file_to_string (C++ function)
- deepmd::Region (C++ struct)
- deepmd::Region::boxt (C++ member)
- deepmd::Region::rec_boxt (C++ member)
- deepmd::Region::Region (C++ function), [1]
- deepmd::Region::~Region (C++ function)
- deepmd::select_by_type (C++ function)
- deepmd::select_map (C++ function), [1]
- deepmd::select_map_inv (C++ function), [1]
- deepmd::select_real_atoms (C++ function)
- deepmd::select_real_atoms_coord (C++ function)
- deepmd::session_get_dtype (C++ function)
- deepmd::session_get_scalar (C++ function)
- deepmd::session_get_vector (C++ function)
- deepmd::session_input_tensors (C++ function), [1]
- deepmd::session_input_tensors_mixed_type (C++ function)
- deepmd::soft_min_switch_cpu (C++ function)
- deepmd::soft_min_switch_force_cpu (C++ function)
- deepmd::soft_min_switch_force_grad_cpu (C++ function)
- deepmd::soft_min_switch_virial_cpu (C++ function)
- deepmd::soft_min_switch_virial_grad_cpu (C++ function)
- deepmd::spline3_switch (C++ function)
- deepmd::spline5_switch (C++ function)
- deepmd::STRINGTYPE (C++ type)
- deepmd::tabulate_fusion_se_a_cpu (C++ function)
- deepmd::tabulate_fusion_se_a_gpu (C++ function)
- deepmd::tabulate_fusion_se_a_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_a_grad_gpu (C++ function)
- deepmd::tabulate_fusion_se_a_grad_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_a_grad_grad_gpu (C++ function)
- deepmd::tabulate_fusion_se_r_cpu (C++ function)
- deepmd::tabulate_fusion_se_r_gpu (C++ function)
- deepmd::tabulate_fusion_se_r_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_r_grad_gpu (C++ function)
- deepmd::tabulate_fusion_se_r_grad_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_r_grad_grad_gpu (C++ function)
- deepmd::tabulate_fusion_se_t_cpu (C++ function)
- deepmd::tabulate_fusion_se_t_gpu (C++ function)
- deepmd::tabulate_fusion_se_t_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_t_grad_gpu (C++ function)
- deepmd::tabulate_fusion_se_t_grad_grad_cpu (C++ function)
- deepmd::tabulate_fusion_se_t_grad_grad_gpu (C++ function)
- deepmd::test_encoding_decoding_nbor_info_gpu (C++ function)
- deepmd::tf_exception (C++ struct)
- deepmd::tf_exception::tf_exception (C++ function), [1]
- deepmd::use_nei_info_cpu (C++ function)
- deepmd::use_nei_info_gpu (C++ function)
- deepmd::use_nlist_map (C++ function)
- deepmd::volume_cpu (C++ function)
- deepmd::volume_gpu (C++ function)
- DEEPMD_C_ROOT
- DeepmdData (class in deepmd.tf.utils)
- DeepmdDataSetForLoader (class in deepmd.pt.utils.dataset)
- DeepmdDataSystem (class in deepmd.tf.utils)
- DeepPolar (class in deepmd.infer.deep_polar)
- DeepPot (class in deepmd.infer)
- DeepPotential() (in module deepmd)
- DeepProperty (class in deepmd.infer.deep_property)
- DeepTensor (class in deepmd.infer.deep_tensor)
- DeepWFC (class in deepmd.infer.deep_wfc)
- def_derv_c_redu (deepmd.dpmodel.ModelOutputDef attribute)
- def_mask (deepmd.dpmodel.ModelOutputDef attribute)
- def_outp (deepmd.dpmodel.ModelOutputDef attribute)
- def_redu (deepmd.dpmodel.ModelOutputDef attribute)
- default (deepmd.utils.data.DataRequirementItem attribute)
- default_mesh (deepmd.tf.utils.data_system.DeepmdDataSystem property)
- DEFAULT_PRECISION (in module deepmd.dpmodel)
- default_tf_session_config (in module deepmd.tf.env)
- DenoiseLoss (class in deepmd.pt.loss)
- DenoiseNet (class in deepmd.pt.model.task)
- dense (deepmd.pt.model.network.network.MaskLMHead attribute)
- deprecate_argument_extra_check() (in module deepmd.utils.argcheck)
- deprecate_numb_test() (in module deepmd.tf.utils.compat)
- DeprecateAction (class in deepmd.main)
- DERV_C (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- DERV_C_MAG (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- DERV_C_REDU (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- DERV_R (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- DERV_R_DERV_R (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- DERV_R_MAG (deepmd.dpmodel.output_def.OutputVariableCategory attribute)
- Descriptor (class in deepmd.tf.descriptor)
- descriptor (deepmd.dpmodel.atomic_model.dp_atomic_model.DPAtomicModel attribute)
- descriptor:
- DescriptorBlock (class in deepmd.dpmodel.descriptor.descriptor)
- descrpt (deepmd.utils.tabulate.BaseTabulate attribute)
- Descrpt() (in module deepmd.tf.env.op_module)
- descrpt() (in module deepmd.tf.env.op_module)
- descrpt2r4() (in module deepmd.tf.nvnmd.descriptor.se_a)
- descrpt_args_plugin (in module deepmd.utils.argcheck)
- descrpt_dpa2_args() (in module deepmd.utils.argcheck)
- descrpt_hybrid_args() (in module deepmd.utils.argcheck)
- descrpt_list (deepmd.dpmodel.descriptor.DescrptHybrid attribute)
- descrpt_local_frame_args() (in module deepmd.utils.argcheck)
- descrpt_norot() (in module deepmd.tf.env.op_module)
- descrpt_para (deepmd.tf.descriptor.DescrptSeAEf attribute)
- descrpt_se_a() (in module deepmd.tf.env.op_module)
- descrpt_se_a_args() (in module deepmd.utils.argcheck)
- descrpt_se_a_ebd_v2_args() (in module deepmd.utils.argcheck)
- descrpt_se_a_ef() (in module deepmd.tf.env.op_module)
- descrpt_se_a_ef_para() (in module deepmd.tf.env.op_module)
- descrpt_se_a_ef_vert() (in module deepmd.tf.env.op_module)
- descrpt_se_a_mask() (in module deepmd.tf.env.op_module)
- descrpt_se_a_mask_args() (in module deepmd.utils.argcheck)
- descrpt_se_a_tpe_args() (in module deepmd.utils.argcheck)
- descrpt_se_atten_args() (in module deepmd.utils.argcheck)
- descrpt_se_atten_common_args() (in module deepmd.utils.argcheck)
- descrpt_se_atten_v2_args() (in module deepmd.utils.argcheck)
- descrpt_se_e3_tebd_args() (in module deepmd.utils.argcheck)
- descrpt_se_r() (in module deepmd.tf.env.op_module)
- descrpt_se_r_args() (in module deepmd.utils.argcheck)
- descrpt_se_t_args() (in module deepmd.utils.argcheck)
- descrpt_type (deepmd.pt.utils.tabulate.DPTabulate attribute)
- descrpt_variant_type_args() (in module deepmd.utils.argcheck)
- descrpt_vert (deepmd.tf.descriptor.DescrptSeAEf attribute)
- DescrptBlockRepformers (class in deepmd.dpmodel.descriptor.repformers)
- DescrptBlockSeA (class in deepmd.pt.model.descriptor)
- DescrptBlockSeAtten (class in deepmd.dpmodel.descriptor.dpa1)
- DescrptBlockSeT (class in deepmd.pt.model.descriptor.se_t)
- DescrptBlockSeTTebd (class in deepmd.dpmodel.descriptor.se_t_tebd)
- DescrptDPA1 (class in deepmd.dpmodel.descriptor)
- DescrptDPA1Compat (class in deepmd.tf.descriptor.se_atten)
- DescrptDPA2 (class in deepmd.dpmodel.descriptor)
- DescrptHybrid (class in deepmd.dpmodel.descriptor)
- DescrptLocFrame (class in deepmd.tf.descriptor)
- DescrptNorot() (in module deepmd.tf.env.op_module)
- DescrptSe (class in deepmd.tf.descriptor.se)
- DescrptSeA (class in deepmd.dpmodel.descriptor)
- DescrptSeA() (in module deepmd.tf.env.op_module)
- DescrptSeAArrayAPI (class in deepmd.dpmodel.descriptor.se_e2_a)
- DescrptSeAEbd (class in deepmd.tf.descriptor)
- DescrptSeAEbdV2 (class in deepmd.tf.descriptor)
- DescrptSeAEf (class in deepmd.tf.descriptor)
- DescrptSeAEf() (in module deepmd.tf.env.op_module)
- DescrptSeAEfLower (class in deepmd.tf.descriptor)
- DescrptSeAEfPara() (in module deepmd.tf.env.op_module)
- DescrptSeAEfVert() (in module deepmd.tf.env.op_module)
- DescrptSeAMask (class in deepmd.tf.descriptor)
- DescrptSeAMask() (in module deepmd.tf.env.op_module)
- DescrptSeAtten (class in deepmd.tf.descriptor)
- DescrptSeAttenV2 (class in deepmd.dpmodel.descriptor)
- DescrptSeR (class in deepmd.dpmodel.descriptor)
- DescrptSeR() (in module deepmd.tf.env.op_module)
- DescrptSeRGPUExecuteFunctor (C++ struct)
- DescrptSeRGPUExecuteFunctor::operator() (C++ function)
- DescrptSeT (class in deepmd.dpmodel.descriptor)
- DescrptSeTTebd (class in deepmd.dpmodel.descriptor)
- deserialize() (deepmd.dpmodel.atomic_model.base_atomic_model.BaseAtomicModel class method)
- deserialize_attention_layers() (deepmd.tf.descriptor.DescrptSeAtten class method)
- deserialize_hook (deepmd.backend.backend.Backend property)
- deserialize_network() (deepmd.tf.descriptor.DescrptSeT class method)
- deserialize_network_strip() (deepmd.tf.descriptor.DescrptSeAtten class method)
- deserialize_to_file() (in module deepmd.jax.jax2tf.serialization)
- detect_backend_by_model() (deepmd.backend.backend.Backend static method)
- detect_model_version() (in module deepmd.tf.utils.convert)
- device (in module deepmd.pt.model.atomic_model.base_atomic_model)
- DEVICE (in module deepmd.pt.utils.env)
- dict (deepmd.utils.data.DataRequirementItem attribute)
- dict_to_device() (in module deepmd.pt.utils.utils)
- dim_aparam (deepmd.jax.jax2tf.tfmodel.TFModelWrapper attribute)
- dim_descrpt (deepmd.dpmodel.fitting.general_fitting.GeneralFitting attribute)
- dim_emb (deepmd.dpmodel.descriptor.DescrptDPA1 property)
- dim_fparam (deepmd.jax.jax2tf.tfmodel.TFModelWrapper attribute)
- dim_in (deepmd.dpmodel.descriptor.dpa1.DescrptBlockSeAtten property)
- dim_in() (deepmd.dpmodel.utils.NativeLayer method)
- dim_out (deepmd.dpmodel.descriptor.DescrptDPA1 property)
- dim_out() (deepmd.dpmodel.utils.NativeLayer method)
- dim_rot_mat (deepmd.tf.fit.dipole.DipoleFittingSeA attribute)
- dim_rot_mat_1 (deepmd.tf.fit.dipole.DipoleFittingSeA attribute)
- dindex (deepmd.pt.optimizer.LKF.LKFOptimizer attribute)
- DipoleChargeModifier (class in deepmd.tf)
- DipoleFitting (class in deepmd.dpmodel.fitting)
- DipoleFittingNet (class in deepmd.jax.fitting)
- DipoleFittingSeA (class in deepmd.tf.fit)
- DipoleModel (class in deepmd.dpmodel.model.dipole_model)
- direct_dist (deepmd.dpmodel.descriptor.dpa2.RepformerArgs attribute)
- direct_dist:
- dirs (deepmd.tf.utils.data.DeepmdData attribute)
- disp_file (deepmd.pt.train.training.Trainer attribute)
- disp_file:
- disp_freq (deepmd.pt.train.training.Trainer attribute)
- disp_freq:
- disp_message() (deepmd.tf.nvnmd.utils.config.NvnmdConfig method)
- disp_training:
- display_if_exist() (deepmd.pt.loss.loss.TaskLoss static method)
- display_in_training (deepmd.pt.train.training.Trainer attribute)
- dist_init (deepmd.pt.optimizer.LKF.LKFOptimizer attribute)
- distribute_indices() (in module deepmd.pt.optimizer.LKF)
- do_derivative() (in module deepmd.dpmodel.output_def)
- do_mask (deepmd.dpmodel.descriptor.dpa1.GatedAttentionLayer attribute)
- do_mask() (in module deepmd.dpmodel.output_def)
- do_reduce() (in module deepmd.dpmodel.output_def)
- doc_dipole (in module deepmd.utils.argcheck)
- doc_dos (in module deepmd.utils.argcheck)
- doc_ener (in module deepmd.utils.argcheck)
- doc_hybrid (in module deepmd.utils.argcheck)
- doc_loc_frame (in module deepmd.utils.argcheck)
- doc_only_pt_supported (in module deepmd.utils.argcheck)
- doc_only_tf_supported (in module deepmd.utils.argcheck)
- doc_polar (in module deepmd.utils.argcheck)
- doc_se_a_mask (in module deepmd.utils.argcheck)
- doc_se_a_tpe (in module deepmd.utils.argcheck)
- doc_se_atten (in module deepmd.utils.argcheck)
- doc_se_atten_v2 (in module deepmd.utils.argcheck)
- doc_se_e2_a (in module deepmd.utils.argcheck)
- doc_se_e2_r (in module deepmd.utils.argcheck)
- doc_se_e3 (in module deepmd.utils.argcheck)
- doc_train_input() (in module deepmd.entrypoints.doc)
- DOSFitting (class in deepmd.tf.fit)
- DOSFittingNet (class in deepmd.dpmodel.fitting)
- DOSLoss (class in deepmd.pt.loss)
- DOSModel (class in deepmd.dpmodel.model.dos_model)
- dotmul_flt_nvnmd (C++ function)
- dotmul_flt_nvnmd() (in module deepmd.tf.env.op_module)
- DotmulFltNvnmd() (in module deepmd.tf.env.op_module)
- dotr (deepmd.dpmodel.descriptor.dpa1.GatedAttentionLayer attribute)
- DP (class in deepmd.calculator)
- dp (deepmd.calculator.DP attribute)
- DP_C_API_VERSION (C macro)
- DP_CHECK_OK (C macro)
- DP_ConvertPbtxtToPb (C++ function)
- DP_DeepBaseModel (C++ struct)
- DP_DeepBaseModel::aparam_nall (C++ member)
- DP_DeepBaseModel::daparam (C++ member)
- DP_DeepBaseModel::dfparam (C++ member)
- DP_DeepBaseModel::DP_DeepBaseModel (C++ function), [1]
- DP_DeepBaseModel::dpbase (C++ member)
- DP_DeepBaseModel::exception (C++ member)
- DP_DeepBaseModel::~DP_DeepBaseModel (C++ function)
- DP_DeepBaseModelCheckOK (C++ function)
- DP_DeepBaseModelDevi (C++ struct)
- DP_DeepBaseModelDevi::aparam_nall (C++ member)
- DP_DeepBaseModelDevi::daparam (C++ member)
- DP_DeepBaseModelDevi::dfparam (C++ member)
- DP_DeepBaseModelDevi::DP_DeepBaseModelDevi (C++ function), [1]
- DP_DeepBaseModelDevi::dpbase (C++ member)
- DP_DeepBaseModelDevi::exception (C++ member)
- DP_DeepBaseModelDevi::~DP_DeepBaseModelDevi (C++ function)
- DP_DeepBaseModelDeviCheckOK (C++ function)
- DP_DeepBaseModelDeviGetCutoff (C++ function)
- DP_DeepBaseModelDeviGetDimAParam (C++ function)
- DP_DeepBaseModelDeviGetDimFParam (C++ function)
- DP_DeepBaseModelDeviGetNumbTypes (C++ function)
- DP_DeepBaseModelDeviGetNumbTypesSpin (C++ function)
- DP_DeepBaseModelDeviIsAParamNAll (C++ function)
- DP_DeepBaseModelGetCutoff (C++ function)
- DP_DeepBaseModelGetDimAParam (C++ function)
- DP_DeepBaseModelGetDimFParam (C++ function)
- DP_DeepBaseModelGetNumbTypes (C++ function)
- DP_DeepBaseModelGetNumbTypesSpin (C++ function)
- DP_DeepBaseModelGetTypeMap (C++ function)
- DP_DeepBaseModelIsAParamNAll (C++ function)
- DP_DeepPot (C++ struct)
- DP_DeepPot::dp (C++ member)
- DP_DeepPot::DP_DeepPot (C++ function), [1]
- DP_DeepPotCheckOK (C++ function)
- DP_DeepPotCompute (C++ function)
- DP_DeepPotCompute2 (C++ function)
- DP_DeepPotComputef (C++ function)
- DP_DeepPotComputef2 (C++ function)
- DP_DeepPotComputeMixedType (C++ function)
- DP_DeepPotComputeMixedTypef (C++ function)
- DP_DeepPotComputeNList (C++ function)
- DP_DeepPotComputeNList2 (C++ function)
- DP_DeepPotComputeNListf (C++ function)
- DP_DeepPotComputeNListf2 (C++ function)
- DP_DeepPotGetCutoff (C++ function)
- DP_DeepPotGetDimAParam (C++ function)
- DP_DeepPotGetDimFParam (C++ function)
- DP_DeepPotGetNumbTypes (C++ function)
- DP_DeepPotGetNumbTypesSpin (C++ function)
- DP_DeepPotGetTypeMap (C++ function)
- DP_DeepPotIsAParamNAll (C++ function)
- DP_DeepPotModelDevi (C++ struct)
- DP_DeepPotModelDevi::dp (C++ member)
- DP_DeepPotModelDevi::DP_DeepPotModelDevi (C++ function), [1]
- DP_DeepPotModelDeviCheckOK (C++ function)
- DP_DeepPotModelDeviCompute (C++ function)
- DP_DeepPotModelDeviCompute2 (C++ function)
- DP_DeepPotModelDeviComputef (C++ function)
- DP_DeepPotModelDeviComputef2 (C++ function)
- DP_DeepPotModelDeviComputeNList (C++ function)
- DP_DeepPotModelDeviComputeNList2 (C++ function)
- DP_DeepPotModelDeviComputeNListf (C++ function)
- DP_DeepPotModelDeviComputeNListf2 (C++ function)
- DP_DeepPotModelDeviGetCutoff (C++ function)
- DP_DeepPotModelDeviGetDimAParam (C++ function)
- DP_DeepPotModelDeviGetDimFParam (C++ function)
- DP_DeepPotModelDeviGetNumbTypes (C++ function)
- DP_DeepPotModelDeviGetNumbTypesSpin (C++ function)
- DP_DeepPotModelDeviIsAParamNAll (C++ function)
- DP_DeepSpin (C++ struct)
- DP_DeepSpin::dp (C++ member)
- DP_DeepSpin::DP_DeepSpin (C++ function), [1]
- DP_DeepSpinCheckOK (C++ function)
- DP_DeepSpinCompute2 (C++ function)
- DP_DeepSpinComputef2 (C++ function)
- DP_DeepSpinComputeNList2 (C++ function)
- DP_DeepSpinComputeNListf2 (C++ function)
- DP_DeepSpinGetCutoff (C++ function)
- DP_DeepSpinGetDimAParam (C++ function)
- DP_DeepSpinGetDimFParam (C++ function)
- DP_DeepSpinGetNumbTypes (C++ function)
- DP_DeepSpinGetNumbTypesSpin (C++ function)
- DP_DeepSpinGetTypeMap (C++ function)
- DP_DeepSpinIsAParamNAll (C++ function)
- DP_DeepSpinModelDevi (C++ struct)
- DP_DeepSpinModelDevi::dp (C++ member)
- DP_DeepSpinModelDevi::DP_DeepSpinModelDevi (C++ function), [1]
- DP_DeepSpinModelDeviCheckOK (C++ function)
- DP_DeepSpinModelDeviCompute2 (C++ function)
- DP_DeepSpinModelDeviComputef2 (C++ function)
- DP_DeepSpinModelDeviComputeNList2 (C++ function)
- DP_DeepSpinModelDeviComputeNListf2 (C++ function)
- DP_DeepSpinModelDeviGetCutoff (C++ function)
- DP_DeepSpinModelDeviGetDimAParam (C++ function)
- DP_DeepSpinModelDeviGetDimFParam (C++ function)
- DP_DeepSpinModelDeviGetNumbTypes (C++ function)
- DP_DeepSpinModelDeviGetNumbTypesSpin (C++ function)
- DP_DeepSpinModelDeviIsAParamNAll (C++ function)
- DP_DeepTensor (C++ struct)
- DP_DeepTensor::DP_DeepTensor (C++ function), [1]
- DP_DeepTensor::dt (C++ member)
- DP_DeepTensor::exception (C++ member)
- DP_DeepTensorCheckOK (C++ function)
- DP_DeepTensorCompute (C++ function)
- DP_DeepTensorComputef (C++ function)
- DP_DeepTensorComputeNList (C++ function)
- DP_DeepTensorComputeNListf (C++ function)
- DP_DeepTensorComputeTensor (C++ function)
- DP_DeepTensorComputeTensorf (C++ function)
- DP_DeepTensorComputeTensorNList (C++ function)
- DP_DeepTensorComputeTensorNListf (C++ function)
- DP_DeepTensorGetCutoff (C++ function)
- DP_DeepTensorGetNumbSelTypes (C++ function)
- DP_DeepTensorGetNumbTypes (C++ function)
- DP_DeepTensorGetOutputDim (C++ function)
- DP_DeepTensorGetSelTypes (C++ function)
- DP_DeepTensorGetTypeMap (C++ function)
- DP_DeleteChar (C++ function)
- DP_DeleteDeepBaseModel (C++ function)
- DP_DeleteDeepBaseModelDevi (C++ function)
- DP_DeleteDeepPot (C++ function)
- DP_DeleteDeepPotModelDevi (C++ function)
- DP_DeleteDeepSpin (C++ function)
- DP_DeleteDeepSpinModelDevi (C++ function)
- DP_DeleteDeepTensor (C++ function)
- DP_DeleteDipoleChargeModifier (C++ function)
- DP_DeleteNlist (C++ function)
- DP_DipoleChargeModifier (C++ struct)
- DP_DipoleChargeModifier::dcm (C++ member)
- DP_DipoleChargeModifier::DP_DipoleChargeModifier (C++ function), [1]
- DP_DipoleChargeModifier::exception (C++ member)
- DP_DipoleChargeModifierCheckOK (C++ function)
- DP_DipoleChargeModifierComputeNList (C++ function)
- DP_DipoleChargeModifierComputeNListf (C++ function)
- DP_DipoleChargeModifierGetCutoff (C++ function)
- DP_DipoleChargeModifierGetNumbSelTypes (C++ function)
- DP_DipoleChargeModifierGetNumbTypes (C++ function)
- DP_DipoleChargeModifierGetSelTypes (C++ function)
- DP_ENABLE_PYTORCH, [1]
- DP_INTERFACE_PREC, [1], [2]
- DP_INTRA_OP_PARALLELISM_THREADS
- dp_ipi() (in module deepmd.tf.entrypoints.ipi)
- DP_NEW_OK (C macro)
- DP_NewDeepPot (C++ function)
- DP_NewDeepPotModelDevi (C++ function)
- DP_NewDeepPotModelDeviWithParam (C++ function)
- DP_NewDeepPotWithParam (C++ function)
- DP_NewDeepPotWithParam2 (C++ function)
- DP_NewDeepSpin (C++ function)
- DP_NewDeepSpinModelDevi (C++ function)
- DP_NewDeepSpinModelDeviWithParam (C++ function)
- DP_NewDeepSpinWithParam2 (C++ function)
- DP_NewDeepTensor (C++ function)
- DP_NewDeepTensorWithParam (C++ function)
- DP_NewDipoleChargeModifier (C++ function)
- DP_NewDipoleChargeModifierWithParam (C++ function)
- DP_NewNlist (C++ function)
- DP_NewNlist_comm (C++ function)
- DP_Nlist (C++ struct)
- DP_Nlist::DP_Nlist (C++ function), [1]
- DP_Nlist::exception (C++ member)
- DP_Nlist::nl (C++ member)
- DP_NlistCheckOK (C++ function)
- DP_NlistSetMapping (C++ function)
- DP_NlistSetMask (C++ function)
- DP_PLUGIN_PATH, [1]
- DP_PrintSummary (C++ function)
- DP_ReadFileToChar (C++ function)
- DP_ReadFileToChar2 (C++ function)
- DP_REQUIRES_OK (C macro)
- DP_SelectByType (C++ function)
- DP_SelectMapInt (C++ function)
- dpa1_attention (deepmd.dpmodel.descriptor.dpa1.DescrptBlockSeAtten attribute)
- dpa2_repformer_args() (in module deepmd.utils.argcheck)
- dpa2_repinit_args() (in module deepmd.utils.argcheck)
- DPAssert (C++ function), [1]
- DPAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPAtomicModelDipole (class in deepmd.jax.atomic_model.dipole_atomic_model)
- DPAtomicModelDOS (class in deepmd.jax.atomic_model.dos_atomic_model)
- DPAtomicModelEnergy (class in deepmd.jax.atomic_model.energy_atomic_model)
- DPAtomicModelPolar (class in deepmd.jax.atomic_model.polar_atomic_model)
- DPAtomicModelProperty (class in deepmd.jax.atomic_model.property_atomic_model)
- DPCalculator (class in deepmd.pt.utils.ase_calc)
- DPDipoleAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPDipoleModel_ (in module deepmd.dpmodel.model.dipole_model)
- DPDOSAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPDOSModel_ (in module deepmd.dpmodel.model.dos_model)
- DPDriver (class in deepmd.driver)
- DPEnergyAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPEnergyModel_ (in module deepmd.dpmodel.model.ener_model)
- DPErrcheck (C macro), [1]
- DPH5Path (class in deepmd.tf.utils.path)
- DPLinearModel_ (in module deepmd.pt.model.model.dp_linear_model)
- DpLoaderSet (class in deepmd.pt.utils.dataloader)
- DPModelBackend (class in deepmd.backend.dpmodel)
- DPModelCommon (class in deepmd.dpmodel)
- DPOSPath (class in deepmd.tf.utils.path)
- DPPath (class in deepmd.tf.utils.path)
- DPPolarAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPPolarModel_ (in module deepmd.dpmodel.model.polar_model)
- DPPropertyAtomicModel (class in deepmd.dpmodel.atomic_model.property_atomic_model)
- DPPropertyModel_ (in module deepmd.dpmodel.model.property_model)
- dprc_pairwise_idx() (in module deepmd.tf.env.op_module)
- DprcPairwiseIdx() (in module deepmd.tf.env.op_module)
- DPTabulate (class in deepmd.pt.utils.tabulate)
- DPTrainer (class in deepmd.tf.train.trainer)
- DPZBLLinearEnergyAtomicModel (class in deepmd.dpmodel.atomic_model)
- DPZBLModel (class in deepmd.dpmodel.model.dp_zbl_model)
- DPZBLModel_ (in module deepmd.dpmodel.model.dp_zbl_model)
- dstd (deepmd.dpmodel.descriptor.DescrptSeA attribute)
- dtype (deepmd.utils.data.DataRequirementItem attribute)
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