output_log.h

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#ifndef OUTPUT_LOG
#define OUTPUT_LOG
 
#include <fstream>
 
#include "source_base/global_variable.h"
#include "source_base/matrix.h"
#include "source_cell/unitcell.h"
 
namespace ModuleIO
{
 
void output_convergence_after_scf(const bool&convergence, double& energy, std::ofstream& ofs_running = GlobalV::ofs_running);
 
void output_after_relax(bool conv_ion, bool conv_esolver, std::ofstream& ofs_running = GlobalV::ofs_running);
 
void output_efermi(const bool &convergence, double& efermi, std::ofstream& ofs_running = GlobalV::ofs_running);
 
void output_vacuum_level(const UnitCell* ucell,
                         const double* const* rho,
                         const double* v_elecstat,
                         const int& nx,
                         const int& ny,
                         const int& nz,
                         const int& nxyz,
                         const int& nrxx,
                         const int& nplane,
                         const int& startz_current,
                         std::ofstream& ofs_running = GlobalV::ofs_running);
 
void print_force(std::ofstream& ofs,
                 const UnitCell& cell,
                 const std::string& name,
                 const ModuleBase::matrix& force,
                 bool ry = true);
 
void print_stress(const std::string& name, 
        const ModuleBase::matrix& scs, 
        const bool screen, 
        const bool ry,
        std::ofstream &ofs);
 
void write_head(std::ofstream& ofs_running, const int& istep, const int& iter, const std::string& basisname);
 
void write_head_td(std::ofstream& ofs_running, const int& istep, const int& estep, const int& iter, const std::string& basisname);
} // namespace ModuleIO
 
#endif