print_cell.cpp File Reference

#include <regex>
#include <cassert>
#include "print_cell.h"
#include "source_base/formatter.h"
#include "source_base/tool_title.h"
#include "source_base/global_variable.h"

Include dependency graph for print_cell.cpp:

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.