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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for KEDF_ML, including all inherited members.
| cal_tool | ML_Base | protected |
| chi_p | ML_Base | protected |
| chi_pnl | ML_Base | protected |
| chi_q | ML_Base | protected |
| chi_qnl | ML_Base | protected |
| chi_xi | ML_Base | protected |
| descriptor2index | ML_Base | protected |
| descriptor2kernel | ML_Base | protected |
| descriptor_type | ML_Base | protected |
| device | ML_Base | protected |
| device_CPU | ML_Base | protected |
| device_type | ML_Base | protected |
| dumpMatrix(std::string filename, const ModuleBase::matrix &data) | ML_Base | |
| dumpTensor(std::string filename, const torch::Tensor &data) | ML_Base | |
| dumpVector(std::string filename, const std::vector< double > &data) | ML_Base | |
| dV | ML_Base | protected |
| energy_exponent | ML_Base | protected |
| energy_prefactor | ML_Base | protected |
| enhancement_cpu_ptr | ML_Base | protected |
| feg3_correct | ML_Base | protected |
| feg_net_F | ML_Base | protected |
| gamma | ML_Base | protected |
| gammanl | ML_Base | protected |
| gene_data_label | ML_Base | protected |
| generateTrainData(const double *const *prho, ModulePW::PW_Basis *pw_rho, const double *veff) | KEDF_ML | |
| get_data(std::string parameter, const int ikernel) const | ML_Base | |
| get_energy(const double *const *prho, ModulePW::PW_Basis *pw_rho) | KEDF_ML | |
| get_potential_(const double *const *prho, const ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpotential) | ML_Base | protected |
| gradient_cpu_ptr | ML_Base | protected |
| init_data(const int &nkernel, const bool &of_ml_gamma, const bool &of_ml_p, const bool &of_ml_q, const bool &of_ml_tanhp, const bool &of_ml_tanhq, const std::vector< int > &of_ml_gammanl_, const std::vector< int > &of_ml_pnl, const std::vector< int > &of_ml_qnl, const std::vector< int > &of_ml_xi, const std::vector< int > &of_ml_tanhxi, const std::vector< int > &of_ml_tanhxi_nl, const std::vector< int > &of_ml_tanh_pnl, const std::vector< int > &of_ml_tanh_qnl, const std::vector< int > &of_ml_tanhp_nl, const std::vector< int > &of_ml_tanhq_nl) | KEDF_ML | |
| KEDF_ML() | KEDF_ML | inline |
| kernel_index | ML_Base | protected |
| loadVector(std::string filename, std::vector< double > &data) | ML_Base | |
| localTest(const double *const *prho, ModulePW::PW_Basis *pw_rho) | KEDF_ML | |
| ML_Base() | ML_Base | |
| ml_energy | KEDF_ML | |
| ml_gamma | ML_Base | protected |
| ml_gammanl | ML_Base | protected |
| ml_p | ML_Base | protected |
| ml_pnl | ML_Base | protected |
| ml_potential(const double *const *prho, ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpotential) | KEDF_ML | |
| ml_q | ML_Base | protected |
| ml_qnl | ML_Base | protected |
| ml_tanh_pnl | ML_Base | protected |
| ml_tanh_qnl | ML_Base | protected |
| ml_tanhp | ML_Base | protected |
| ml_tanhp_nl | ML_Base | protected |
| ml_tanhq | ML_Base | protected |
| ml_tanhq_nl | ML_Base | protected |
| ml_tanhxi | ML_Base | protected |
| ml_tanhxi_nl | ML_Base | protected |
| ml_xi | ML_Base | protected |
| nablaRho | ML_Base | protected |
| ninput | ML_Base | protected |
| nkernel | ML_Base | protected |
| nn | ML_Base | protected |
| NN_forward(const double *const *prho, const ModulePW::PW_Basis *pw_rho, bool cal_grad) | ML_Base | protected |
| nx | ML_Base | protected |
| nx_tot | ML_Base | |
| p | ML_Base | protected |
| pnl | ML_Base | protected |
| potGammanlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rGammanlTerm) | ML_Base | protected |
| potGammaTerm(int ir) | ML_Base | protected |
| potPPnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rPPnlTerm) | ML_Base | protected |
| potPTerm1(int ir) | ML_Base | protected |
| potQQnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rQQnlTerm) | ML_Base | protected |
| potQTerm1(int ir) | ML_Base | protected |
| potTanhpTanh_pnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhpTanh_pnlTerm) | ML_Base | protected |
| potTanhpTanhp_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhpTanhp_nlTerm) | ML_Base | protected |
| potTanhpTerm1(int ir) | ML_Base | protected |
| potTanhqTanh_qnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhqTanh_qnlTerm) | ML_Base | protected |
| potTanhqTanhq_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhqTanhq_nlTerm) | ML_Base | protected |
| potTanhqTerm1(int ir) | ML_Base | protected |
| potTanhxi_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhxi_nlTerm) | ML_Base | protected |
| potTanhxinlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhxinlTerm) | ML_Base | protected |
| potTanhxiTerm1(int ir) | ML_Base | protected |
| potXinlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rXinlTerm) | ML_Base | protected |
| potXiTerm1(int ir) | ML_Base | protected |
| pqcoef | ML_Base | protected |
| q | ML_Base | protected |
| qnl | ML_Base | protected |
| set_device(std::string device_inpt) | ML_Base | |
| set_para(const int nx, const double dV, const double nelec, const double tf_weight, const double vw_weight, const double chi_p, const double chi_q, const std::vector< double > &chi_xi, const std::vector< double > &chi_pnl, const std::vector< double > &chi_qnl, const int &nkernel, const std::vector< int > &kernel_type, const std::vector< double > &kernel_scaling, const std::vector< double > &yukawa_alpha, const std::vector< std::string > &kernel_file, const bool &of_ml_gamma, const bool &of_ml_p, const bool &of_ml_q, const bool &of_ml_tanhp, const bool &of_ml_tanhq, const std::vector< int > &of_ml_gammanl, const std::vector< int > &of_ml_pnl, const std::vector< int > &of_ml_qnl, const std::vector< int > &of_ml_xi, const std::vector< int > &of_ml_tanhxi, const std::vector< int > &of_ml_tanhxi_nl, const std::vector< int > &of_ml_tanh_pnl, const std::vector< int > &of_ml_tanh_qnl, const std::vector< int > &of_ml_tanhp_nl, const std::vector< int > &of_ml_tanhq_nl, const std::string device_inpt, ModulePW::PW_Basis *pw_rho) | KEDF_ML | |
| tanh_pnl | ML_Base | protected |
| tanh_qnl | ML_Base | protected |
| tanhp | ML_Base | protected |
| tanhp_nl | ML_Base | protected |
| tanhq | ML_Base | protected |
| tanhq_nl | ML_Base | protected |
| tanhxi | ML_Base | protected |
| tanhxi_nl | ML_Base | protected |
| updateInput(const double *const *prho, const ModulePW::PW_Basis *pw_rho) | ML_Base | protected |
| xi | ML_Base | protected |
| ~ML_Base() | ML_Base |
1.9.8