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Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for ModuleSymmetry::Symmetry_Basic, including all inherited members.
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 |
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 | |
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_translation_vector(const double &x1, const double &x2) const | ModuleSymmetry::Symmetry_Basic | |
matrigen(ModuleBase::Matrix3 *symgen, const int ngen, ModuleBase::Matrix3 *symop, int &nop) const | ModuleSymmetry::Symmetry_Basic | |
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 |
pointgroup(const int &nrot, int &pgnumber, std::string &pgname, const ModuleBase::Matrix3 *gmatrix, std::ofstream &ofs_running) const | ModuleSymmetry::Symmetry_Basic | |
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 | |
setgroup(ModuleBase::Matrix3 *symop, int &nop, const int &ibrav) const | ModuleSymmetry::Symmetry_Basic | |
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 | |
Symmetry_Basic() | ModuleSymmetry::Symmetry_Basic | inline |
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_Basic() | ModuleSymmetry::Symmetry_Basic | inline |