# | Line 120 | Line 120 | template<typename T> void NVT<T>::moveA() { | |
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120 | // Finally, evolve chi a half step (just like a velocity) using | |
121 | // temperature at time t, not time t+dt/2 | |
122 | ||
123 | + | std::cerr << "targetTemp = " << targetTemp << " instTemp = " << instTemp << " tauThermostat = " << tauThermostat << " integral of Chi = " << integralOfChidt << "\n"; |
124 | + | |
125 | chi += dt2 * ( instTemp / targetTemp - 1.0) / (tauThermostat*tauThermostat); | |
126 | integralOfChidt += chi*dt2; | |
127 |
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