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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 ModuleSymmetry::Symmetry, including all inherited members.
| a1 | ModuleSymmetry::Symmetry | |
| a2 | ModuleSymmetry::Symmetry | |
| a3 | ModuleSymmetry::Symmetry | |
| all_mbl | ModuleSymmetry::Symmetry | |
| analy_sys(const Lattice &lat, const Statistics &st, Atom *atoms, std::ofstream &ofs_running) | ModuleSymmetry::Symmetry | |
| analyze_magnetic_group(const Atom *atoms, const Statistics &st, int &nrot_out, int &nrotk_out) | ModuleSymmetry::Symmetry | private |
| atom_ordering(double *posi, const int natom, int *subindex) | ModuleSymmetry::Symmetry_Basic | protected |
| atom_ordering_new(double *posi, const int natom, int *subindex) const | ModuleSymmetry::Symmetry_Basic | protected |
| cel_const | ModuleSymmetry::Symmetry | |
| check_boundary(double &x) const | ModuleSymmetry::Symmetry_Basic | |
| check_diff(const double &x1, const double &x2) const | ModuleSymmetry::Symmetry_Basic | |
| check_translation(double &x, const double &t) const | ModuleSymmetry::Symmetry_Basic | |
| checksym(const ModuleBase::Matrix3 &s, ModuleBase::Vector3< double > >rans, double *pos, double *rotpos, int *index, const int itmin_type, const int ntype, const int itmin_start, int *istart, int *na) const | ModuleSymmetry::Symmetry | |
| epsilon | ModuleSymmetry::Symmetry_Basic | |
| epsilon_input | ModuleSymmetry::Symmetry_Basic | |
| equal(const double &m, const double &n) const | ModuleSymmetry::Symmetry_Basic | |
| get_brav_name(const int ibrav) const | ModuleSymmetry::Symmetry_Basic | protected |
| get_optlat(ModuleBase::Vector3< double > &v1, ModuleBase::Vector3< double > &v2, ModuleBase::Vector3< double > &v3, ModuleBase::Vector3< double > &w1, ModuleBase::Vector3< double > &w2, ModuleBase::Vector3< double > &w3, int &real_brav, double *cel_const, double *tmp_const) const | ModuleSymmetry::Symmetry | private |
| get_rotated_atom(int isym, int iat) const | ModuleSymmetry::Symmetry | inline |
| get_shortest_latvec(ModuleBase::Vector3< double > &a1, ModuleBase::Vector3< double > &a2, ModuleBase::Vector3< double > &a3) const | ModuleSymmetry::Symmetry | private |
| get_translation_vector(const double &x1, const double &x2) const | ModuleSymmetry::Symmetry_Basic | |
| getgroup(int &nrot, int &nrotk, std::ofstream &ofs_running, const int &nop, const ModuleBase::Matrix3 *symop, ModuleBase::Matrix3 *gmatrix, ModuleBase::Vector3< double > *gtrans, double *pos, double *rotpos, int *index, const int ntype, const int itmin_type, const int itmin_start, int *istart, int *na) const | ModuleSymmetry::Symmetry | |
| gmatrix | ModuleSymmetry::Symmetry | |
| gmatrix_convert(const ModuleBase::Matrix3 *sa, ModuleBase::Matrix3 *sb, const int n, const ModuleBase::Matrix3 &a, const ModuleBase::Matrix3 &b) const | ModuleSymmetry::Symmetry | |
| gmatrix_convert_int(const ModuleBase::Matrix3 *sa, ModuleBase::Matrix3 *sb, const int n, const ModuleBase::Matrix3 &a, const ModuleBase::Matrix3 &b) const | ModuleSymmetry::Symmetry | |
| gmatrix_invmap(const ModuleBase::Matrix3 *s, const int n, int *invmap) const | ModuleSymmetry::Symmetry | |
| gtrans | ModuleSymmetry::Symmetry | |
| gtrans_convert(const ModuleBase::Vector3< double > *va, ModuleBase::Vector3< double > *vb, const int n, const ModuleBase::Matrix3 &a, const ModuleBase::Matrix3 &b) const | ModuleSymmetry::Symmetry | |
| hermite_normal_form(const ModuleBase::Matrix3 &s, ModuleBase::Matrix3 &H, ModuleBase::Matrix3 &b) const | ModuleSymmetry::Symmetry | |
| ilattname | ModuleSymmetry::Symmetry | |
| index | ModuleSymmetry::Symmetry | |
| is_all_movable(const Atom *atoms, const Statistics &st) const | ModuleSymmetry::Symmetry | private |
| istart | ModuleSymmetry::Symmetry | |
| isym_rotiat_ | ModuleSymmetry::Symmetry | private |
| itmin_start | ModuleSymmetry::Symmetry | |
| itmin_type | ModuleSymmetry::Symmetry | |
| kgmatrix | ModuleSymmetry::Symmetry | |
| lattice_type(ModuleBase::Vector3< double > &v1, ModuleBase::Vector3< double > &v2, ModuleBase::Vector3< double > &v3, ModuleBase::Vector3< double > &v01, ModuleBase::Vector3< double > &v02, ModuleBase::Vector3< double > &v03, double *cel_const, double *pre_const, int &real_brav, std::string &bravname, const Atom *atoms, bool convert_atoms, double *newpos=nullptr) const | ModuleSymmetry::Symmetry | |
| magmom_same_check(const Atom *atoms) const | ModuleSymmetry::Symmetry | private |
| matrigen(ModuleBase::Matrix3 *symgen, const int ngen, ModuleBase::Matrix3 *symop, int &nop) const | ModuleSymmetry::Symmetry_Basic | |
| max_nrotk | ModuleSymmetry::Symmetry | |
| na | ModuleSymmetry::Symmetry | |
| nat | ModuleSymmetry::Symmetry | |
| ncell | ModuleSymmetry::Symmetry | |
| newpos | ModuleSymmetry::Symmetry | |
| nop | ModuleSymmetry::Symmetry | |
| nrot | ModuleSymmetry::Symmetry | |
| nrotk | ModuleSymmetry::Symmetry | |
| ntype | ModuleSymmetry::Symmetry | |
| optlat | ModuleSymmetry::Symmetry | |
| order_atoms(double *pos, const int &nat, const int *index) const | ModuleSymmetry::Symmetry_Basic | private |
| order_y(double *pos, const int &oldpos, const int &newpos) | ModuleSymmetry::Symmetry_Basic | private |
| order_z(double *pos, const int &oldpos, const int &newpos) | ModuleSymmetry::Symmetry_Basic | private |
| p1 | ModuleSymmetry::Symmetry | |
| p2 | ModuleSymmetry::Symmetry | |
| p3 | ModuleSymmetry::Symmetry | |
| pbrav | ModuleSymmetry::Symmetry | |
| pcel_const | ModuleSymmetry::Symmetry | |
| pgname | ModuleSymmetry::Symmetry | |
| pgnumber | ModuleSymmetry::Symmetry | |
| plat | ModuleSymmetry::Symmetry | |
| plattname | ModuleSymmetry::Symmetry | |
| pointgroup(const int &nrot, int &pgnumber, std::string &pgname, const ModuleBase::Matrix3 *gmatrix, std::ofstream &ofs_running) const | ModuleSymmetry::Symmetry_Basic | |
| pre_const | ModuleSymmetry::Symmetry | |
| pricell(double *pos, const Atom *atoms) | ModuleSymmetry::Symmetry | |
| pricell_loop | ModuleSymmetry::Symmetry | static |
| ptrans | ModuleSymmetry::Symmetry | |
| real_brav | ModuleSymmetry::Symmetry | |
| rho_symmetry(double *rho, const int &nr1, const int &nr2, const int &nr3) | ModuleSymmetry::Symmetry | |
| rhog_symmetry(std::complex< double > *rhogtot, int *ixyz2ipw, const int &nx, const int &ny, const int &nz, const int &fftnx, const int &fftny, const int &fftnz) | ModuleSymmetry::Symmetry | |
| rotate(ModuleBase::Matrix3 &gmatrix, ModuleBase::Vector3< double > >rans, int i, int j, int k, const int, const int, const int, int &, int &, int &) | ModuleSymmetry::Symmetry_Basic | |
| rotpos | ModuleSymmetry::Symmetry | |
| s1 | ModuleSymmetry::Symmetry | |
| s2 | ModuleSymmetry::Symmetry | |
| s3 | ModuleSymmetry::Symmetry | |
| set_atom_map(const Atom *atoms) | ModuleSymmetry::Symmetry | private |
| setgroup(ModuleBase::Matrix3 *symop, int &nop, const int &ibrav) const | ModuleSymmetry::Symmetry_Basic | |
| spgname | ModuleSymmetry::Symmetry | |
| spgnumber | ModuleSymmetry::Symmetry | |
| standard_lat(ModuleBase::Vector3< double > &a, ModuleBase::Vector3< double > &b, ModuleBase::Vector3< double > &c, double *celconst) const | ModuleSymmetry::Symmetry | |
| subgroup(const int &nrot, const int &ninv, const int &nc2, const int &nc3, const int &nc4, const int &nc6, const int &ns1, const int &ns3, const int &ns4, const int &ns6) const | ModuleSymmetry::Symmetry_Basic | |
| sym_test | ModuleSymmetry::Symmetry | |
| symflag_fft | ModuleSymmetry::Symmetry | |
| symm_autoclose | ModuleSymmetry::Symmetry | static |
| symm_flag | ModuleSymmetry::Symmetry | static |
| symmetrize_mat3(ModuleBase::matrix &sigma, const Lattice &lat) const | ModuleSymmetry::Symmetry | |
| symmetrize_vec3_nat(double *v) const | ModuleSymmetry::Symmetry | |
| Symmetry() | ModuleSymmetry::Symmetry | inline |
| Symmetry_Basic() | ModuleSymmetry::Symmetry_Basic | inline |
| symop | ModuleSymmetry::Symmetry | |
| test_atom_ordering(double *posi, const int natom, int *subindex) const | ModuleSymmetry::Symmetry_Basic | |
| veccon(double *va, double *vb, const int num, const ModuleBase::Vector3< double > &aa1, const ModuleBase::Vector3< double > &aa2, const ModuleBase::Vector3< double > &aa3, const ModuleBase::Vector3< double > &bb1, const ModuleBase::Vector3< double > &bb2, const ModuleBase::Vector3< double > &bb3) | ModuleSymmetry::Symmetry_Basic | |
| ~Symmetry() | ModuleSymmetry::Symmetry | inline |
| ~Symmetry_Basic() | ModuleSymmetry::Symmetry_Basic | inline |
1.9.8