Python Module Indexd ddeepmd 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
