| 119 |
|
|
| 120 |
|
conservedQuantity = Energy + thermostat_kinetic + thermostat_potential + |
| 121 |
|
barostat_kinetic + barostat_potential; |
| 122 |
< |
|
| 123 |
< |
std::cout << "--------------------------------------------------------------" << std::endl; |
| 124 |
< |
std::cout << "time: " << currentSnapshot_->getTime() << std:: endl; |
| 125 |
< |
std::cout << "chi : " << chi << std::endl; |
| 126 |
< |
std::cout << "integralOfChidt : " << integralOfChidt << std::endl; |
| 127 |
< |
std::cout << "eta : " << eta << std::endl; |
| 128 |
< |
std::cout << "NkBT: " << NkBT << std::endl; |
| 129 |
< |
std::cout << "fkBT: " << fkBT << std::endl; |
| 130 |
< |
std::cout << "thermostat_kinetic : " << thermostat_kinetic<< std::endl; |
| 131 |
< |
std::cout << "thermostat_potential : " << thermostat_potential << std::endl; |
| 132 |
< |
std::cout << "barostat_kinetic : " << barostat_kinetic << std::endl; |
| 133 |
< |
std::cout << "barostat_potential : " << barostat_potential << std::endl; |
| 134 |
< |
std::cout << "Total Energy: " << Energy << std::endl; |
| 135 |
< |
std::cout << "Conserved Quantity: " << conservedQuantity <<std::endl; |
| 136 |
< |
std::cout << "--------------------------------------------------------------" << std::endl; |
| 122 |
> |
|
| 123 |
|
return conservedQuantity; |
| 124 |
|
} |
| 125 |
|
|
