C++ (Cpp) dpd_heat_up示例

示例#1

文件： thermostat.cpp 项目： psci2195/espresso-ffans

void thermo_heat_up()
{
  int j;
  if(thermo_switch & THERMO_LANGEVIN) {
    langevin_pref2_buffer          = langevin_pref2;
    langevin_pref2 *= sqrt(3);
#ifndef ROTATIONAL_INERTIA
    langevin_pref2_rotation_buffer = langevin_pref2_rotation;
    langevin_pref2_rotation *= sqrt(3);
#else
    for ( j = 0 ; j < 3 ; j++)
    {
    	langevin_pref2_rotation_buffer[j] = langevin_pref2_rotation[j];
    	langevin_pref2_rotation[j] *= sqrt(3);
    }
#endif
#ifdef MULTI_TIMESTEP
    langevin_pref2_small_buffer    = langevin_pref2_small;
    langevin_pref2_small          *= sqrt(3);
#endif
  }
#ifdef DPD
  else if (thermo_switch & THERMO_DPD){dpd_heat_up();}
#endif
#ifdef INTER_DPD
  else if (thermo_switch & THERMO_INTER_DPD) {inter_dpd_heat_up();}
#endif
}

示例#2

文件： thermostat.cpp 项目： roehm/espresso

void thermo_heat_up()
{
  if(thermo_switch & THERMO_LANGEVIN) {
    langevin_pref2_buffer          = langevin_pref2;
    langevin_pref2_rotation_buffer = langevin_pref2_rotation;
    langevin_pref2 *= sqrt(3);
    langevin_pref2_rotation *= sqrt(3);
#ifdef MULTI_TIMESTEP
    langevin_pref2_small_buffer    = langevin_pref2_small;
    langevin_pref2_small          *= sqrt(3);
#endif
  }
#ifdef DPD
  else if (thermo_switch & THERMO_DPD){dpd_heat_up();}
#endif
#ifdef INTER_DPD
  else if (thermo_switch & THERMO_INTER_DPD) {inter_dpd_heat_up();}
#endif
}