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Atomic-orbital Based Ab-initio Computation at UStc
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ML_Base Member List

This is the complete list of members for ML_Base, including all inherited members.

cal_toolML_Baseprotected
chi_pML_Baseprotected
chi_pnlML_Baseprotected
chi_qML_Baseprotected
chi_qnlML_Baseprotected
chi_xiML_Baseprotected
descriptor2indexML_Baseprotected
descriptor2kernelML_Baseprotected
descriptor_typeML_Baseprotected
deviceML_Baseprotected
device_CPUML_Baseprotected
device_typeML_Baseprotected
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
dVML_Baseprotected
energy_exponentML_Baseprotected
energy_prefactorML_Baseprotected
enhancement_cpu_ptrML_Baseprotected
feg3_correctML_Baseprotected
feg_net_FML_Baseprotected
gammaML_Baseprotected
gammanlML_Baseprotected
gene_data_labelML_Baseprotected
get_data(std::string parameter, const int ikernel) constML_Base
get_potential_(const double *const *prho, const ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpotential)ML_Baseprotected
gradient_cpu_ptrML_Baseprotected
kernel_indexML_Baseprotected
loadVector(std::string filename, std::vector< double > &data)ML_Base
ML_Base()ML_Base
ml_gammaML_Baseprotected
ml_gammanlML_Baseprotected
ml_pML_Baseprotected
ml_pnlML_Baseprotected
ml_qML_Baseprotected
ml_qnlML_Baseprotected
ml_tanh_pnlML_Baseprotected
ml_tanh_qnlML_Baseprotected
ml_tanhpML_Baseprotected
ml_tanhp_nlML_Baseprotected
ml_tanhqML_Baseprotected
ml_tanhq_nlML_Baseprotected
ml_tanhxiML_Baseprotected
ml_tanhxi_nlML_Baseprotected
ml_xiML_Baseprotected
nablaRhoML_Baseprotected
ninputML_Baseprotected
nkernelML_Baseprotected
nnML_Baseprotected
NN_forward(const double *const *prho, const ModulePW::PW_Basis *pw_rho, bool cal_grad)ML_Baseprotected
nxML_Baseprotected
nx_totML_Base
pML_Baseprotected
pnlML_Baseprotected
potGammanlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rGammanlTerm)ML_Baseprotected
potGammaTerm(int ir)ML_Baseprotected
potPPnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rPPnlTerm)ML_Baseprotected
potPTerm1(int ir)ML_Baseprotected
potQQnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rQQnlTerm)ML_Baseprotected
potQTerm1(int ir)ML_Baseprotected
potTanhpTanh_pnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhpTanh_pnlTerm)ML_Baseprotected
potTanhpTanhp_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhpTanhp_nlTerm)ML_Baseprotected
potTanhpTerm1(int ir)ML_Baseprotected
potTanhqTanh_qnlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhqTanh_qnlTerm)ML_Baseprotected
potTanhqTanhq_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhqTanhq_nlTerm)ML_Baseprotected
potTanhqTerm1(int ir)ML_Baseprotected
potTanhxi_nlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhxi_nlTerm)ML_Baseprotected
potTanhxinlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rTanhxinlTerm)ML_Baseprotected
potTanhxiTerm1(int ir)ML_Baseprotected
potXinlTerm(const double *const *prho, const std::vector< double > &tau_lda, const ModulePW::PW_Basis *pw_rho, std::vector< double > &rXinlTerm)ML_Baseprotected
potXiTerm1(int ir)ML_Baseprotected
pqcoefML_Baseprotected
qML_Baseprotected
qnlML_Baseprotected
set_device(std::string device_inpt)ML_Base
tanh_pnlML_Baseprotected
tanh_qnlML_Baseprotected
tanhpML_Baseprotected
tanhp_nlML_Baseprotected
tanhqML_Baseprotected
tanhq_nlML_Baseprotected
tanhxiML_Baseprotected
tanhxi_nlML_Baseprotected
updateInput(const double *const *prho, const ModulePW::PW_Basis *pw_rho)ML_Baseprotected
xiML_Baseprotected
~ML_Base()ML_Base