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

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_Managerinline
lkt_KEDF_Managerprivate
ml_KEDF_Managerprivate
of_kinetic_KEDF_Managerprivate
record_energy(std::vector< std::string > &titles, std::vector< double > &energies_Ry)KEDF_Manager
tf_KEDF_Managerprivate
vw_KEDF_Managerprivate
wt_KEDF_Managerprivate
xwm_KEDF_Managerprivate
~KEDF_Manager()KEDF_Managerinline