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

This is the complete list of members for Get_wf_lcao, including all inherited members.

bands_picked_Get_wf_lcaoprivate
begin(const UnitCell &ucell, const psi::Psi< double > *psid, const ModulePW::PW_Basis_K *pw_wfc, const Parallel_Grid &pgrid, const Parallel_Orbitals &para_orb, Gint_Gamma &gg, const int &out_wfc_pw, const K_Vectors &kv, const double nelec, const std::vector< int > &out_wfc_norm, const std::vector< int > &out_wfc_re_im, const int nbands, const int nspin, const int nlocal, const std::string &global_out_dir, std::ofstream &ofs_running)Get_wf_lcao
begin(const UnitCell &ucell, const psi::Psi< double > *psid, const ModulePW::PW_Basis_K *pw_wfc, const Parallel_Grid &pgrid, const Parallel_Orbitals &para_orb, Gint_k &gg, const int &out_wfc_pw, const K_Vectors &kv, const double nelec, const std::vector< int > &out_wfc_norm, const std::vector< int > &out_wfc_re_im, const int nbands, const int nspin, const int nlocal, const std::string &global_out_dir, std::ofstream &ofs_running)Get_wf_lcaoinline
begin(const UnitCell &ucell, const psi::Psi< std::complex< double > > *psi, const ModulePW::PW_Basis_K *pw_wfc, const Parallel_Grid &pgrid, const Parallel_Orbitals &para_orb, Gint_k &gk, const int &out_wfc_pw, const K_Vectors &kv, const double nelec, const std::vector< int > &out_wfc_norm, const std::vector< int > &out_wfc_re_im, const int nbands, const int nspin, const int nlocal, const std::string &global_out_dir, std::ofstream &ofs_running)Get_wf_lcao
begin(const UnitCell &ucell, const psi::Psi< std::complex< double > > *psi, const ModulePW::PW_Basis_K *pw_wfc, const Parallel_Grid &pgrid, const Parallel_Orbitals &para_orb, Gint_Gamma &gk, const int &out_wfc_pw, const K_Vectors &kv, const double nelec, const std::vector< int > &out_wfc_norm, const std::vector< int > &out_wfc_re_im, const int nbands, const int nspin, const int nlocal, const std::string &global_out_dir, std::ofstream &ofs_running)Get_wf_lcaoinline
Get_wf_lcao(const elecstate::ElecState *pes)Get_wf_lcao
globalIndex(int localindex, int nblk, int nprocs, int myproc)Get_wf_lcaoprivate
localIndex(int globalindex, int nblk, int nprocs, int &myproc)Get_wf_lcaoprivate
pes_Get_wf_lcaoprivate
prepare_get_wf(std::ofstream &ofs_running)Get_wf_lcaoprivate
select_bands(const std::vector< int > &out_wfc_kb, const int nbands, const int fermi_band)Get_wf_lcaoprivate
set_pw_wfc(const ModulePW::PW_Basis_K *pw_wfc, const int &ik, const int &ib, const int &nspin, const double *const *const rho, psi::Psi< std::complex< double > > &wfc_g)Get_wf_lcaoprivate
set_wfc_grid(const int naroc[2], const int nb, const int dim0, const int dim1, const int iprow, const int ipcol, const T *in, T **out, const std::vector< int > &trace_lo)Get_wf_lcaoprivate
wfc_2d_to_grid(const T *wfc_2d, const Parallel_Orbitals &pv, T **wfc_grid, const std::vector< int > &trace_lo)Get_wf_lcaoprivate
~Get_wf_lcao()Get_wf_lcao