msst.h

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#ifndef MSST_H
#define MSST_H
 
#include "md_base.h"
 
class MSST : public MD_base
{
  public:
    MSST(const Parameter& param_in, UnitCell& unit_in);
    ~MSST();
 
  private:
    void setup(ModuleESolver::ESolver* p_esolver, const std::string& global_readin_dir);
    void first_half(std::ofstream& ofs);
    void second_half();
    void print_md(std::ofstream& ofs, const bool& cal_stress);
    void write_restart(const std::string& global_out_dir);
    void restart(const std::string& global_readin_dir);
 
    double vel_sum();
 
    void rescale(std::ofstream& ofs, const double& volume);
 
    void propagate_vel(void);
 
    void propagate_voldot(void);
 
    ModuleBase::Vector3<double>* old_v;   
    ModuleBase::Vector3<double> dilation; 
    ModuleBase::Vector3<double> omega;    
    double p0;                            
    double v0;                            
    double e0;                            
    double totmass;                       
    double lag_pos;                       
    double vsum;                          
    double msst_vel;                      
    double msst_qmass;                    
    double msst_vis;                      
};
 
#endif