restart.h

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#ifndef RESTART_H
#define RESTART_H
 
#include <string>
#include "source_base/global_function.h"
#ifdef __EXX
#include <RI/global/Tensor.h>
#endif
 
class Restart
{
public:
    struct Info_Save
    {
        bool save_charge = false;
        bool save_H = false;    // save H means save Hexx now, will be changed in the future.
    };
    Info_Save info_save;
    
    struct Info_Load
    {
        bool load_charge = false;
        bool load_charge_finish = false;
        bool load_H = false;
        bool load_H_finish = false;
        bool restart_exx = false;   // to avoid the repeated load in MD/Relax
    };
    Info_Load info_load;
    
    std::string folder;
 
    template<typename T>
    bool save_disk(const std::string label, const int index, const int size, T* data, const bool error_quit = true) const
    {
        return write_file2(folder + label + "_" + ModuleBase::GlobalFunc::TO_STRING(GlobalV::MY_RANK) + "_"
            + ModuleBase::GlobalFunc::TO_STRING(index),
            data,
            size * sizeof(T),
            error_quit);
    }
    template<typename T>
    bool load_disk(const std::string label, const int index, const int size, T* data, const bool error_quit = true) const
    {
        return read_file2(folder + label + "_" + ModuleBase::GlobalFunc::TO_STRING(GlobalV::MY_RANK) + "_"
            + ModuleBase::GlobalFunc::TO_STRING(index),
            data,
            size * sizeof(T),
            error_quit);
    }
private:
    void write_file1(const std::string &file_name, const void*const ptr, const size_t size) const;
    void read_file1(const std::string &file_name, void*const ptr, const size_t size) const;
    bool write_file2(const std::string& file_name, const void* const ptr, const size_t size, const bool error_quit = true) const;
    bool read_file2(const std::string& file_name, void* const ptr, const size_t size, const bool error_quit = true) const;
};
 
namespace GlobalC
{
extern Restart restart; // Peize Lin add 2020.04.04
} // namespace GlobalC
 
#endif