ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | |
namespace | unitcell |
Functions | |
bool | unitcell::check_tau (const Atom *atoms, const int &ntype, const double &lat0) |
void | unitcell::check_dtau (Atom *atoms, const int &ntype, const double &lat0, ModuleBase::Matrix3 &latvec) |
bool | unitcell::read_atom_species (std::ifstream &ifa, std::ofstream &ofs_running, UnitCell &ucell) |
bool | unitcell::read_lattice_constant (std::ifstream &ifa, std::ofstream &ofs_running, Lattice &lat) |
bool | unitcell::read_atom_positions (UnitCell &ucell, std::ifstream &ifpos, std::ofstream &ofs_running, std::ofstream &ofs_warning) |