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Atomic-orbital Based Ab-initio Computation at UStc
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vdw::Vdwd3 Member List

This is the complete list of members for vdw::Vdwd3, including all inherited members.

atom_kind()vdw::Vdwd3private
cal_energy() overridevdw::Vdwd3privatevirtual
cal_force() overridevdw::Vdwd3privatevirtual
cal_stress() overridevdw::Vdwd3privatevirtual
energy_vdw::Vdwprotected
force_vdw::Vdwprotected
get_c6(int iat, int jat, double nci, double ncj, double &c6)vdw::Vdwd3private
get_dc6_dcnij(int mxci, int mxcj, double cni, double cnj, int izi, int izj, int iat, int jat, double &c6check, double &dc6i, double &dc6j)vdw::Vdwd3private
get_energy(bool cal=true)vdw::Vdwinline
get_force(bool cal=true)vdw::Vdwinline
get_stress(bool cal=true)vdw::Vdwinline
init()vdw::Vdwd3private
iz_vdw::Vdwd3private
lat_vdw::Vdwd3private
lin(int i1, int i2)vdw::Vdwd3inlineprivate
para_vdw::Vdwd3private
parameter()vdw::Vdwd3inline
parameter() constvdw::Vdwd3inline
pbc_gdisp(std::vector< ModuleBase::Vector3< double > > &g, ModuleBase::matrix &smearing_sigma)vdw::Vdwd3private
pbc_ncoord(std::vector< double > &cn)vdw::Vdwd3private
pbc_three_body(const std::vector< int > &iz, const std::vector< ModuleBase::Vector3< double > > &lat, const std::vector< ModuleBase::Vector3< double > > &xyz, const std::vector< int > &rep_cn, const std::vector< double > &cc6ab, double &eabc)vdw::Vdwd3private
rep_cn_vdw::Vdwd3private
rep_vdw_vdw::Vdwd3private
set_criteria(double rthr, const std::vector< ModuleBase::Vector3< double > > &lat, std::vector< double > &tau_max)vdw::Vdwd3private
stress_vdw::Vdwprotected
ucell_vdw::Vdwprotected
Vdw(const UnitCell &unit_in)vdw::Vdwinline
Vdwd3(const UnitCell &unit_in)vdw::Vdwd3inline
xyz_vdw::Vdwd3private
~Vdw()=defaultvdw::Vdwvirtual
~Vdwd3()=defaultvdw::Vdwd3