Force_Stress_LCAO< T > Member List

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, const psi::Psi< T > *psi, Gint_Gamma &gint_gamma, Gint_k &gint_k, 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, LCAO_Deepks< T > &ld, 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 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, Gint_Gamma &gint_gamma, Gint_k &gint_k, 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 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, Gint_Gamma &gint_gamma, Gint_k &gint_k, 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 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, Gint_Gamma &gint_gamma, Gint_k &gint_k, 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 >