ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
This is the complete list of members for ModuleIO::Write_MLKEDF_Descriptors, including all inherited members.
cal_tool | ModuleIO::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_Descriptors | inline |
Write_MLKEDF_Descriptors() | ModuleIO::Write_MLKEDF_Descriptors | inline |
~Write_MLKEDF_Descriptors() | ModuleIO::Write_MLKEDF_Descriptors | inline |