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Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for hsolver::HSolverPW_SDFT< T, Device >, including all inherited members.
basis_type | hsolver::HSolverPW< T, Device > | protected |
build_k_neighbors() | hsolver::HSolverPW< T, Device > | private |
cal_smooth_ethr(const double &wk, const double *wg, const double ðr, std::vector< double > ðrs) | hsolver::HSolverPW< T, Device > | private |
calculation_type | hsolver::HSolverPW< T, Device > | protected |
ctx | hsolver::HSolverPW< T, Device > | protected |
delmem_complex_op typedef | hsolver::HSolverPW< T, Device > | protected |
diag_iter_max | hsolver::HSolverPW< T, Device > | protected |
diag_thr | hsolver::HSolverPW< T, Device > | protected |
ethr_band | hsolver::HSolverPW< T, Device > | protected |
hamiltSolvePsiK(hamilt::Hamilt< T, Device > *hm, psi::Psi< T, Device > &psi, std::vector< Real > &pre_condition, Real *eigenvalue, const int &nk_nums) | hsolver::HSolverPW< T, Device > | protected |
HSolverPW(ModulePW::PW_Basis_K *wfc_basis_in, const std::string calculation_type_in, const std::string basis_type_in, const std::string method_in, const bool use_paw_in, const bool use_uspp_in, const int nspin_in, const int scf_iter_in, const int diag_iter_max_in, const double diag_thr_in, const bool need_subspace_in, const bool use_k_continuity_in=false) | hsolver::HSolverPW< T, Device > | inline |
HSolverPW_SDFT(K_Vectors *pkv, ModulePW::PW_Basis_K *wfc_basis_in, Stochastic_WF< T, Device > &stowf, StoChe< Real, Device > &stoche, hamilt::HamiltSdftPW< T, Device > *p_hamilt_sto, const std::string calculation_type_in, const std::string basis_type_in, const std::string method_in, const bool use_paw_in, const bool use_uspp_in, const int nspin_in, const int scf_iter_in, const int diag_iter_max_in, const double diag_thr_in, const bool need_subspace_in) | hsolver::HSolverPW_SDFT< T, Device > | inline |
k_order | hsolver::HSolverPW< T, Device > | private |
k_parent | hsolver::HSolverPW< T, Device > | private |
kvecs_c | hsolver::HSolverPW< T, Device > | private |
method | hsolver::HSolverPW< T, Device > | protected |
need_subspace | hsolver::HSolverPW< T, Device > | protected |
nproc_in_pool | hsolver::HSolverPW< T, Device > | protected |
nspin | hsolver::HSolverPW< T, Device > | protected |
output_iterInfo() | hsolver::HSolverPW< T, Device > | protected |
propagate_psi(psi::Psi< T, Device > &psi, const int from_ik, const int to_ik) | hsolver::HSolverPW< T, Device > | private |
rank_in_pool | hsolver::HSolverPW< T, Device > | protected |
Real typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
resmem_complex_op typedef | hsolver::HSolverPW< T, Device > | protected |
scf_iter | hsolver::HSolverPW< T, Device > | protected |
setmem_complex_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
setmem_var_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
solve(const UnitCell &ucell, hamilt::Hamilt< T, Device > *pHamilt, psi::Psi< T, Device > &psi, psi::Psi< T > &psi_cpu, elecstate::ElecState *pes, ModulePW::PW_Basis_K *wfc_basis, Stochastic_WF< T, Device > &stowf, const int istep, const int iter, const bool skip_charge) | hsolver::HSolverPW_SDFT< T, Device > | |
hsolver::HSolverPW::solve(hamilt::Hamilt< T, Device > *pHamilt, psi::Psi< T, Device > &psi, elecstate::ElecState *pes, double *out_eigenvalues, const int rank_in_pool_in, const int nproc_in_pool_in, const bool skip_charge, const double tpiba, const int nat) | hsolver::HSolverPW< T, Device > | |
stoiter | hsolver::HSolverPW_SDFT< T, Device > | |
syncmem_d2h_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
syncmem_h2d_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
syncmem_var_d2h_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
syncmem_var_h2d_op typedef | hsolver::HSolverPW_SDFT< T, Device > | protected |
update_precondition(std::vector< Real > &h_diag, const int ik, const int npw, const Real vl_of_0) | hsolver::HSolverPW< T, Device > | protected |
use_k_continuity | hsolver::HSolverPW< T, Device > | protected |
use_paw | hsolver::HSolverPW< T, Device > | protected |
use_uspp | hsolver::HSolverPW< T, Device > | protected |
wfc_basis | hsolver::HSolverPW< T, Device > | protected |