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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
read_stru.h File Reference
#include "atom_spec.h"
#include "source_cell/unitcell.h"
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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)