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Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for KEDF_Manager, including all inherited members.
generate_ml_target(const double *const *prho, ModulePW::PW_Basis *pw_rho, const double *veff) | KEDF_Manager | |
get_energy() | KEDF_Manager | |
get_energy_density(const double *const *prho, const double *const *pphi, ModulePW::PW_Basis *pw_rho, double **rtau) | KEDF_Manager | |
get_potential(const double *const *prho, const double *const *pphi, ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &rpot) | KEDF_Manager | |
get_stress(const double omega, const double *const *prho, const double *const *pphi, ModulePW::PW_Basis *pw_rho, ModuleBase::matrix &kinetic_stress_) | KEDF_Manager | |
init(const Input_para &inp, ModulePW::PW_Basis *pw_rho, const double dV, const double nelec) | KEDF_Manager | |
KEDF_Manager() | KEDF_Manager | inline |
lkt_ | KEDF_Manager | private |
ml_ | KEDF_Manager | private |
of_kinetic_ | KEDF_Manager | private |
record_energy(std::vector< std::string > &titles, std::vector< double > &energies_Ry) | KEDF_Manager | |
tf_ | KEDF_Manager | private |
vw_ | KEDF_Manager | private |
wt_ | KEDF_Manager | private |
xwm_ | KEDF_Manager | private |
~KEDF_Manager() | KEDF_Manager | inline |