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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for Sto_Forces< FPTYPE, Device >, including all inherited members.
| cal_force(UnitCell &ucell, ModuleBase::matrix &force, const elecstate::ElecState &elec, const ModulePW::PW_Basis *const rho_basis, ModuleSymmetry::Symmetry *p_symm, Structure_Factor *p_sf, surchem &solvent, const pseudopot_cell_vl *locpp, const pseudopot_cell_vnl *nlpp=nullptr, K_Vectors *pkv=nullptr, ModulePW::PW_Basis_K *psi_basis=nullptr, const psi::Psi< std::complex< FPTYPE >, Device > *psi_in=nullptr) | Forces< FPTYPE, Device > | |
| cal_force_cc(ModuleBase::matrix &forcecc, const ModulePW::PW_Basis *const rho_basis, const Charge *const chr, const bool *numeric, UnitCell &ucell_in) | Forces< FPTYPE, Device > | protected |
| cal_force_ew(const UnitCell &ucell, ModuleBase::matrix &forceion, const ModulePW::PW_Basis *const rho_basis, const Structure_Factor *p_sf) | Forces< FPTYPE, Device > | protected |
| cal_force_loc(const UnitCell &ucell, ModuleBase::matrix &forcelc, const ModulePW::PW_Basis *const rho_basis, const ModuleBase::matrix &vloc, const Charge *const chr) | Forces< FPTYPE, Device > | protected |
| cal_force_nl(ModuleBase::matrix &forcenl, const ModuleBase::matrix &wg, const ModuleBase::matrix &ekb, const K_Vectors *p_kv, const ModulePW::PW_Basis_K *psi_basis, const Structure_Factor *p_sf, const pseudopot_cell_vnl &nlpp_in, const UnitCell &ucell_in, const psi::Psi< std::complex< FPTYPE >, Device > *psi_in=nullptr) | Forces< FPTYPE, Device > | protected |
| cal_force_onsite(ModuleBase::matrix &force_onsite, const ModuleBase::matrix &wg, const ModulePW::PW_Basis_K *wfc_basis, const UnitCell &ucell_in, const psi::Psi< std::complex< FPTYPE >, Device > *psi_in=nullptr) | Forces< FPTYPE, Device > | protected |
| cal_force_scc(ModuleBase::matrix &forcescc, const ModulePW::PW_Basis *const rho_basis, const ModuleBase::matrix &v_current, const bool vnew_exist, const bool *numeric, const UnitCell &ucell_in) | Forces< FPTYPE, Device > | protected |
| cal_force_us(ModuleBase::matrix &forcenl, const ModulePW::PW_Basis *const rho_basis, const pseudopot_cell_vnl &ppcell_in, const elecstate::ElecState &elec, const UnitCell &ucell) | Forces< FPTYPE, Device > | protected |
| cal_sto_force_nl(ModuleBase::matrix &forcenl, const ModuleBase::matrix &wg, K_Vectors *p_kv, ModulePW::PW_Basis_K *wfc_basis, const Structure_Factor *p_sf, const pseudopot_cell_vnl &nlpp, const UnitCell &ucell, const psi::Psi< std::complex< FPTYPE >, Device > &psi_in, const Stochastic_WF< std::complex< FPTYPE >, Device > &stowf) | Sto_Forces< FPTYPE, Device > | private |
| cal_stoforce(ModuleBase::matrix &force, const elecstate::ElecState &elec, ModulePW::PW_Basis *rho_basis, ModuleSymmetry::Symmetry *p_symm, const Structure_Factor *p_sf, K_Vectors *pkv, ModulePW::PW_Basis_K *wfc_basis, const pseudopot_cell_vl &locpp, const pseudopot_cell_vnl &nlpp, UnitCell &ucell, const psi::Psi< std::complex< FPTYPE >, Device > &psi_in, const Stochastic_WF< std::complex< FPTYPE >, Device > &stowf) | Sto_Forces< FPTYPE, Device > | |
| cal_ylm(int lmax, int npw, const FPTYPE *gk_in, FPTYPE *ylm) | Forces< FPTYPE, Device > | protected |
| cpu_ctx | Forces< FPTYPE, Device > | protected |
| ctx | Forces< FPTYPE, Device > | protected |
| delmem_complex_h_op typedef | Forces< FPTYPE, Device > | private |
| delmem_complex_op typedef | Forces< FPTYPE, Device > | private |
| delmem_int_op typedef | Forces< FPTYPE, Device > | private |
| delmem_var_op typedef | Sto_Forces< FPTYPE, Device > | private |
| deriv_drhoc(const bool &numeric, const int mesh, const FPTYPE *r, const FPTYPE *rab, const FPTYPE *rhoc, FPTYPE *drhocg, const ModulePW::PW_Basis *const rho_basis, int type, const UnitCell &ucell_in) | Forces< FPTYPE, Device > | protected |
| deriv_drhoc_scc(const bool &numeric, const int mesh, const FPTYPE *r, const FPTYPE *rab, const FPTYPE *rhoc, FPTYPE *drhocg, const ModulePW::PW_Basis *const rho_basis, const UnitCell &ucell_in) | Forces< FPTYPE, Device > | protected |
| device | Forces< FPTYPE, Device > | protected |
| Forces(const int nat_in) | Forces< FPTYPE, Device > | inline |
| gemm_op typedef | Forces< FPTYPE, Device > | private |
| nat | Forces< FPTYPE, Device > | protected |
| npwx | Forces< FPTYPE, Device > | protected |
| resmem_complex_h_op typedef | Forces< FPTYPE, Device > | private |
| resmem_complex_op typedef | Forces< FPTYPE, Device > | private |
| resmem_int_op typedef | Forces< FPTYPE, Device > | private |
| resmem_var_op typedef | Sto_Forces< FPTYPE, Device > | private |
| Sto_Forces(const int nat_in) | Sto_Forces< FPTYPE, Device > | inline |
| syncmem_complex_d2h_op typedef | Forces< FPTYPE, Device > | private |
| syncmem_complex_h2d_op typedef | Forces< FPTYPE, Device > | private |
| syncmem_int_h2d_op typedef | Forces< FPTYPE, Device > | private |
| syncmem_var_d2h_op typedef | Sto_Forces< FPTYPE, Device > | private |
| syncmem_var_h2d_op typedef | Sto_Forces< FPTYPE, Device > | private |
| ~Forces() | Forces< FPTYPE, Device > | inline |
| ~Sto_Forces() | Sto_Forces< FPTYPE, Device > | inline |
1.9.8