gint_precision_controller.h

Go to the documentation of this file.

#ifndef GINT_PRECISION_CONTROLLER_H
#define GINT_PRECISION_CONTROLLER_H
 
#include "source_lcao/module_gint/gint_helper.h"
 
#include <string>
 
class GintPrecisionController
{
  public:
    GintPrecisionController() = default;
 
    void set_mode(const std::string& precision_mode);
 
    void reset_for_new_scf();
 
    bool update_after_iteration(double drho, double scf_thr);
 
    ModuleGint::GintPrecision current_precision() const;
 
  private:
    enum class PrecisionMode
    {
        single,
        double_mode,
        mix
    };
 
    static PrecisionMode parse_mode_(const std::string& precision_mode);
 
    ModuleGint::GintPrecision current_precision_ = ModuleGint::GintPrecision::fp64;
    PrecisionMode mode_ = PrecisionMode::double_mode;
    bool locked_double_precision_ = true;
};
 
#endif