示例#1
0
void StatisticsSampler::sample(System &system, ofstream &file)
{
    sampleKineticEnergy(system);
    samplePotentialEnergy(system);
    sampleTemperature(system);
    sampleDensity(system);
    sampleDiffusionConstant(system);
    saveToFile(system, file);
}
示例#2
0
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);
}