ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for vdw::Vdwd3, including all inherited members.
atom_kind() | vdw::Vdwd3 | private |
cal_energy() override | vdw::Vdwd3 | privatevirtual |
cal_force() override | vdw::Vdwd3 | privatevirtual |
cal_stress() override | vdw::Vdwd3 | privatevirtual |
energy_ | vdw::Vdw | protected |
force_ | vdw::Vdw | protected |
get_c6(int iat, int jat, double nci, double ncj, double &c6) | vdw::Vdwd3 | private |
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::Vdwd3 | private |
get_energy(bool cal=true) | vdw::Vdw | inline |
get_force(bool cal=true) | vdw::Vdw | inline |
get_stress(bool cal=true) | vdw::Vdw | inline |
init() | vdw::Vdwd3 | private |
iz_ | vdw::Vdwd3 | private |
lat_ | vdw::Vdwd3 | private |
lin(int i1, int i2) | vdw::Vdwd3 | inlineprivate |
para_ | vdw::Vdwd3 | private |
parameter() | vdw::Vdwd3 | inline |
parameter() const | vdw::Vdwd3 | inline |
pbc_gdisp(std::vector< ModuleBase::Vector3< double > > &g, ModuleBase::matrix &smearing_sigma) | vdw::Vdwd3 | private |
pbc_ncoord(std::vector< double > &cn) | vdw::Vdwd3 | private |
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::Vdwd3 | private |
rep_cn_ | vdw::Vdwd3 | private |
rep_vdw_ | vdw::Vdwd3 | private |
set_criteria(double rthr, const std::vector< ModuleBase::Vector3< double > > &lat, std::vector< double > &tau_max) | vdw::Vdwd3 | private |
stress_ | vdw::Vdw | protected |
ucell_ | vdw::Vdw | protected |
Vdw(const UnitCell &unit_in) | vdw::Vdw | inline |
Vdwd3(const UnitCell &unit_in) | vdw::Vdwd3 | inline |
xyz_ | vdw::Vdwd3 | private |
~Vdw()=default | vdw::Vdw | virtual |
~Vdwd3()=default | vdw::Vdwd3 |