ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for Charge, including all inherited members.
_space_kin_r | Charge | private |
_space_kin_r_save | Charge | private |
_space_rho | Charge | private |
_space_rho_save | Charge | private |
_space_rhog | Charge | private |
_space_rhog_save | Charge | private |
allocate(const int &nspin_in) | Charge | |
allocate_rho | Charge | private |
allocate_rho_final_scf | Charge | private |
atomic_rho(const int spin_number_need, const double &omega, double **rho_in, const ModuleBase::ComplexMatrix &strucFac, const UnitCell &ucell) const | Charge | |
cal_elf | Charge | |
cal_rho2ne(const double *rho_in) const | Charge | |
Charge() | Charge | |
check_rho() | Charge | |
destroy() | Charge | private |
dis | Charge | private |
init_chgmpi() | Charge | |
init_final_scf() | Charge | |
init_rho(elecstate::efermi &eferm_iout, const UnitCell &ucell, const Parallel_Grid &pgrid, const ModuleBase::ComplexMatrix &strucFac, ModuleSymmetry::Symmetry &symm, const void *klist=nullptr, const void *wfcpw=nullptr) | Charge | |
kin_r | Charge | |
kin_r_save | Charge | |
ngmc | Charge | |
nhat | Charge | |
nhat_save | Charge | |
non_linear_core_correction(const bool &numeric, const double omega, const double tpiba2, const int mesh, const double *r, const double *rab, const double *rhoc, double *rhocg) const | Charge | |
nrxx | Charge | |
nspin | Charge | |
nxyz | Charge | |
omega_ | Charge | private |
pgrid | Charge | |
prenspin | Charge | |
rec | Charge | private |
reduce_diff_pools(double *array_rho) const | Charge | |
renormalize_rho() | Charge | |
rho | Charge | |
rho_core | Charge | |
rho_mpi() | Charge | |
rho_save | Charge | |
rhog | Charge | |
rhog_core | Charge | |
rhog_save | Charge | |
rhopw | Charge | |
save_rho_before_sum_band() | Charge | |
set_omega(double *omega_in) | Charge | inline |
set_rho_core(const UnitCell &ucell, const ModuleBase::ComplexMatrix &structure_factor, const bool *numeric) | Charge | |
set_rho_core_paw() | Charge | |
set_rhopw(ModulePW::PW_Basis *rhopw_in) | Charge | |
sum_rho() const | Charge | |
~Charge() | Charge |