Sourcefiles/helperfunctions.cpp
/**
 * @fn double calculateCurrentTemperatur(Atoms &atoms)
 * @brief calculates the current Temperatur of the simulation using boltzmann using normal units
 * @param atoms
 * @return the temperatur of the system
 */
@fn double calculateCurrentTemperatur(Atoms &atoms)
@brief calculates the current Temperatur of the simulation using boltzmann using normal units
@param atoms
@return the temperatur of the system
@fn double calculateCurrentTemperatur ( Atoms &atoms ) @brief calculates the current Temperatur of the simulation using boltzmann using normal units @param atoms @return the temperatur of the system
double calculateCurrentTemperatur(Atoms &atoms) {
    double totalKineticEnergy = calculateKineticEnergy(atoms);
    double temperatur = 2./3. * (totalKineticEnergy/boltzmannConstant) /atoms.nb_atoms();
    if(temperatur == 0) {
        temperatur = 1e-5; 
    }
    return temperatur;
}
double calculateCurrentTemperatur ( Atoms & atoms ) { double totalKineticEnergy = calculateKineticEnergy ( atoms ) ; double temperatur = 2. / 3. * ( totalKineticEnergy / boltzmannConstant ) / atoms . nb_atoms ( ) ; if ( temperatur == 0 ) { temperatur = 1e-5 ; } return temperatur ; }
@fn double calculateCurrentTemperatur(Atoms &atoms)
 @brief calculates the current Temperatur of the simulation using boltzmann using normal units
 @param atoms
 @return the temperatur of the system
@fn double calculateCurrentTemperatur ( Atoms &atoms ) @brief calculates the current Temperatur of the simulation using boltzmann using normal units @param atoms @return the temperatur of the system
//totalKineticEnergy = calculateEnergyWithQuadradicMeanVelocity(atoms); //set it to a minimal temperatur so it does not crash