Namespace deepmd

Classes

• Struct deepmd_exception

• Struct NeighborListData

• Struct tf_exception

• Class AtomMap

• Class DeepBaseModel

• Class DeepBaseModelBackend

• Class DeepBaseModelDevi

• Class DeepPot

• Class DeepPotBackend

• Class DeepPotJAX

• Class DeepPotModelDevi

• Class DeepPotPD

• Class DeepPotPT

• Class DeepPotTF

• Class DeepSpin

• Class DeepSpinBackend

• Class DeepSpinModelDevi

• Class DeepSpinPT

• Class DeepSpinTF

• Class DeepTensor

• Class DeepTensorBase

• Class DeepTensorPT

• Class DeepTensorTF

• Class DipoleChargeModifier

• Class DipoleChargeModifierBase

• Class DipoleChargeModifierTF

Enums

• Enum DPBackend

Functions

• Function deepmd::backend_name

• Function deepmd::check_status

• Function deepmd::convert_pbtxt_to_pb

• Function deepmd::convert_pbtxt_to_pb_from_plugin

• Function deepmd::create_deeppot_backend_from_plugin

• Function deepmd::create_deepspin_backend_from_plugin

• Function deepmd::create_deeptensor_backend_from_plugin

• Function deepmd::create_dipole_charge_modifier_backend_from_plugin

• Template Function deepmd::fold_back

• Function deepmd::get_backend

• Function deepmd::get_env_nthreads

• Function deepmd::load_op_library()

• Function deepmd::load_op_library(DPBackend)

• Function deepmd::model_compatable

• Function deepmd::name_prefix

• Function deepmd::print_summary

• Function deepmd::read_file_to_string

• Function deepmd::remap_comm_sendlist

• Template Function deepmd::select_by_type

• Template Function deepmd::select_map(std::vector<VT>&, const std::vector<VT>&, const std::vector<int>&, const int&, const int&, const int&, const int&)

• Template Function deepmd::select_map(typename std::vector<VT>::iterator, const typename std::vector<VT>::const_iterator, const std::vector<int>&, const int&, const int&, const int&, const int&)

• Template Function deepmd::select_map_inv(typename std::vector<VT>::iterator, const typename std::vector<VT>::const_iterator, const std::vector<int>&, const int&)

• Template Function deepmd::select_map_inv(std::vector<VT>&, const std::vector<VT>&, const std::vector<int>&, const int&)

• Template Function deepmd::select_real_atoms

• Template Function deepmd::select_real_atoms_coord

• Function deepmd::session_get_dtype

• Template Function deepmd::session_get_scalar

• Template Function deepmd::session_get_vector

• Template Function deepmd::session_input_tensors(std::vector<std::pair<std::string, tensorflow::Tensor>>&, const std::vector<VALUETYPE>&, const int&, const std::vector<int>&, const std::vector<VALUETYPE>&, const double&, const std::vector<VALUETYPE>&, const std::vector<VALUETYPE>&, const deepmd::AtomMap&, const std::string, const bool)

• Template Function deepmd::session_input_tensors(std::vector<std::pair<std::string, tensorflow::Tensor>>&, const std::vector<VALUETYPE>&, const int&, const std::vector<int>&, const std::vector<VALUETYPE>&, InputNlist&, const std::vector<VALUETYPE>&, const std::vector<VALUETYPE>&, const deepmd::AtomMap&, const int, const int, const std::string, const bool)

• Template Function deepmd::session_input_tensors_mixed_type

Typedefs

• Typedef deepmd::deepmd_convert_pbtxt_to_pb_fn

• Typedef deepmd::deepmd_create_deeppot_backend_fn

• Typedef deepmd::deepmd_create_deepspin_backend_fn

• Typedef deepmd::deepmd_create_deeptensor_backend_fn

• Typedef deepmd::deepmd_create_dipole_charge_modifier_backend_fn

• Typedef deepmd::deepmd_delete_deeppot_backend_fn

• Typedef deepmd::deepmd_delete_deepspin_backend_fn

• Typedef deepmd::deepmd_delete_deeptensor_backend_fn

• Typedef deepmd::deepmd_delete_dipole_charge_modifier_backend_fn

• Typedef deepmd::deepmd_free_backend_error_fn

• Typedef deepmd::ENERGYTYPE

• Typedef deepmd::STRINGTYPE

Variables

• Variable deepmd::DEEPMD_BACKEND_PLUGIN_FREE_ERROR_SYMBOL

• Variable deepmd::DEEPMD_CONVERT_PBTXT_TO_PB_PLUGIN_SYMBOL

• Variable deepmd::DEEPMD_DEEPPOT_PLUGIN_CREATE_SYMBOL

• Variable deepmd::DEEPMD_DEEPPOT_PLUGIN_DELETE_SYMBOL

• Variable deepmd::DEEPMD_DEEPSPIN_PLUGIN_CREATE_SYMBOL

• Variable deepmd::DEEPMD_DEEPSPIN_PLUGIN_DELETE_SYMBOL

• Variable deepmd::DEEPMD_DEEPTENSOR_PLUGIN_CREATE_SYMBOL

• Variable deepmd::DEEPMD_DEEPTENSOR_PLUGIN_DELETE_SYMBOL

• Variable deepmd::DEEPMD_DIPOLE_CHARGE_MODIFIER_PLUGIN_CREATE_SYMBOL

• Variable deepmd::DEEPMD_DIPOLE_CHARGE_MODIFIER_PLUGIN_DELETE_SYMBOL