void StatisticsSampler::sample(System &system, ofstream &file)
{
sampleKineticEnergy(system);
samplePotentialEnergy(system);
sampleTemperature(system);
sampleDensity(system);
sampleDiffusionConstant(system);
saveToFile(system, file);
}
void StatisticsSampler::sample(System &system)
{
// Here you should measure different kinds of statistical properties and save it to a file.
sampleKineticEnergy(system);
samplePotentialEnergy(system);
sampleTemperature(system);
sampleDensity(system);
sampleMomentum(system);
sampleDiffusionConstant(system);
samplePressure(system);
}
void StatisticsSampler::sample(System *system)
{
// Here you should measure different kinds of statistical properties and save it to a file.
CPElapsedTimer::sampling().start();
sampleKineticEnergy(system);
samplePotentialEnergy(system);
sampleTemperature(system);
sampleDensity(system);
samplePressure(system);
if(m_fileHandler) {
m_fileHandler->writeStatistics(system->currentTime(), m_kineticEnergy, m_potentialEnergy, m_pressure, m_temperature);
}
CPElapsedTimer::sampling().stop();
}
