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Atomic-orbital Based Ab-initio Computation at UStc
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ModuleIO::Write_MLKEDF_Descriptors Member List

This is the complete list of members for ModuleIO::Write_MLKEDF_Descriptors, including all inherited members.

cal_toolModuleIO::Write_MLKEDF_Descriptors
file_name(const std::string &out_dir, std::string parameter, const int kernel_type, const double kernel_scaling)ModuleIO::Write_MLKEDF_Descriptors
generate_descriptor(const std::string &out_dir, const double *const *prho, ModulePW::PW_Basis *pw_rho, std::vector< std::vector< double > > &nablaRho)ModuleIO::Write_MLKEDF_Descriptors
generateTrainData_KS(const std::string &out_dir, psi::Psi< std::complex< double > > *psi, elecstate::ElecState *pelec, ModulePW::PW_Basis_K *pw_psi, ModulePW::PW_Basis *pw_rho, UnitCell &ucell, const double *veff)ModuleIO::Write_MLKEDF_Descriptors
generateTrainData_KS(const std::string &out_dir, psi::Psi< std::complex< float > > *psi, elecstate::ElecState *pelec, ModulePW::PW_Basis_K *pw_psi, ModulePW::PW_Basis *pw_rho, UnitCell &ucell, const double *veff)ModuleIO::Write_MLKEDF_Descriptorsinline
Write_MLKEDF_Descriptors()ModuleIO::Write_MLKEDF_Descriptorsinline
~Write_MLKEDF_Descriptors()ModuleIO::Write_MLKEDF_Descriptorsinline