 |
ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
Loading...
Searching...
No Matches
|
ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
This is the complete list of members for Force_Stress_LCAO< T >, including all inherited members.
| calForcePwPart(UnitCell &ucell, ModuleBase::matrix &fvl_dvl, ModuleBase::matrix &fewalds, ModuleBase::matrix &fcc, ModuleBase::matrix &fscc, const double &etxc, const ModuleBase::matrix &vnew, const bool vnew_exist, const Charge *const chr, ModulePW::PW_Basis *rhopw, const pseudopot_cell_vl &locpp, const Structure_Factor &sf) | Force_Stress_LCAO< T > | private |
| calStressPwPart(UnitCell &ucell, ModuleBase::matrix &sigmadvl, ModuleBase::matrix &sigmahar, ModuleBase::matrix &sigmaewa, ModuleBase::matrix &sigmacc, ModuleBase::matrix &sigmaxc, const double &etxc, const Charge *const chr, ModulePW::PW_Basis *rhopw, const pseudopot_cell_vl &locpp, const Structure_Factor &sf) | Force_Stress_LCAO< T > | private |
| flk | Force_Stress_LCAO< T > | private |
| force_invalid_threshold_ev | Force_Stress_LCAO< T > | privatestatic |
| Force_Stress_LCAO(Record_adj &ra, const int nat_in) | Force_Stress_LCAO< T > | |
| forceSymmetry(const UnitCell &ucell, ModuleBase::matrix &fcs, ModuleSymmetry::Symmetry *symm) | Force_Stress_LCAO< T > | private |
| getForceStress(UnitCell &ucell, const bool isforce, const bool isstress, const bool istestf, const bool istests, const Grid_Driver &gd, Parallel_Orbitals &pv, const elecstate::ElecState *pelec, LCAO_domain::Setup_DM< T > &dmat, const psi::Psi< T > *psi, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, ModuleBase::matrix &fcs, ModuleBase::matrix &scs, const pseudopot_cell_vl &locpp, const Structure_Factor &sf, const K_Vectors &kv, ModulePW::PW_Basis *rhopw, surchem &solvent, Setup_DeePKS< T > &deepks, Exx_NAO< T > &exx_nao, ModuleSymmetry::Symmetry *symm) | Force_Stress_LCAO< T > | |
| Input_Conv::Convert | Force_Stress_LCAO< T > | friend |
| integral_part(const bool isGammaOnly, const bool isforce, const bool isstress, const UnitCell &ucell, const Grid_Driver &gd, ForceStressArrays &fsr, const elecstate::ElecState *pelec, const elecstate::DensityMatrix< T, double > *dm, const psi::Psi< T > *psi, ModuleBase::matrix &foverlap, ModuleBase::matrix &ftvnl_dphi, ModuleBase::matrix &fvnl_dbeta, ModuleBase::matrix &fvl_dphi, ModuleBase::matrix &soverlap, ModuleBase::matrix &stvnl_dphi, ModuleBase::matrix &svnl_dbeta, ModuleBase::matrix &svl_dphi, ModuleBase::matrix &fvnl_dalpha, ModuleBase::matrix &svnl_dalpha, Setup_DeePKS< T > &deepks, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const K_Vectors &kv) | Force_Stress_LCAO< T > | private |
| integral_part(const bool isGammaOnly, const bool isforce, const bool isstress, const UnitCell &ucell, const Grid_Driver &gd, ForceStressArrays &fsr, const elecstate::ElecState *pelec, const elecstate::DensityMatrix< double, double > *dm, const psi::Psi< double > *psi, ModuleBase::matrix &foverlap, ModuleBase::matrix &ftvnl_dphi, ModuleBase::matrix &fvnl_dbeta, ModuleBase::matrix &fvl_dphi, ModuleBase::matrix &soverlap, ModuleBase::matrix &stvnl_dphi, ModuleBase::matrix &svnl_dbeta, ModuleBase::matrix &svl_dphi, ModuleBase::matrix &fvnl_dalpha, ModuleBase::matrix &svnl_dalpha, Setup_DeePKS< double > &deepks, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const K_Vectors &kv) | Force_Stress_LCAO< T > | private |
| integral_part(const bool isGammaOnly, const bool isforce, const bool isstress, const UnitCell &ucell, const Grid_Driver &gd, ForceStressArrays &fsr, const elecstate::ElecState *pelec, const elecstate::DensityMatrix< std::complex< double >, double > *dm, const psi::Psi< std::complex< double > > *psi, ModuleBase::matrix &foverlap, ModuleBase::matrix &ftvnl_dphi, ModuleBase::matrix &fvnl_dbeta, ModuleBase::matrix &fvl_dphi, ModuleBase::matrix &soverlap, ModuleBase::matrix &stvnl_dphi, ModuleBase::matrix &svnl_dbeta, ModuleBase::matrix &svl_dphi, ModuleBase::matrix &fvnl_dalpha, ModuleBase::matrix &svnl_dalpha, Setup_DeePKS< std::complex< double > > &deepks, const TwoCenterBundle &two_center_bundle, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const K_Vectors &kv) | Force_Stress_LCAO< T > | private |
| ions | Force_Stress_LCAO< T > | friend |
| md | Force_Stress_LCAO< T > | friend |
| nat | Force_Stress_LCAO< T > | private |
| RA | Force_Stress_LCAO< T > | private |
| sc_pw | Force_Stress_LCAO< T > | private |
| ~Force_Stress_LCAO() | Force_Stress_LCAO< T > |
1.9.8