print_cell.h File Reference

#include "atom_spec.h"
#include "source_cell/unitcell.h"

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Namespaces
namespace	unitcell

Functions
void	unitcell::print_tau (Atom *atoms, const std::string &Coordinate, const int ntype, const double lat0, std::ofstream &ofs)
void	unitcell::print_stru_file (const UnitCell &ucell, const Atom *atoms, const ModuleBase::Matrix3 &latvec, const std::string &fn, const int &nspin=1, const bool &direct=false, const bool &vel=false, const bool &magmom=false, const bool &orb=false, const bool &dpks_desc=false, const int &iproc=0)
	UnitCell class is too heavy, this function would be moved elsewhere. Print STRU file respect to given setting.