//************************************************************
void Observables::calculateVariationalDerivateRatio()
{
deltaVariationalDerivateRatio = wavefunction->getVariationalDerivate(r);
for(uint p = 0; p <deltaVariationalDerivateRatio.n_rows; p++ ){
variationalDerivateRatio(p) += deltaVariationalDerivateRatio(p);
energyVariationalDerivate(p) += deltaE(0)*deltaVariationalDerivateRatio(p);
}
}
int main()
{
double polomer, vyska, hmotnost;
double vysledok;
printf("Zadaj polomer: ");
scanf("%lf", &polomer);
printf("Zadaj vysku: ");
scanf("%lf", &vyska);
printf("Zadaj hmotnost: ");
scanf("%lf", &hmotnost);
vysledok = deltaE( polomer, vyska, hmotnost);
printf("polomer:%.3lf\n", polomer);
printf("vyska:%.3lf\n", vyska);
printf("hmotnost:%.3lf\n", hmotnost);
printf("%lf\n", vysledok);
system("PAUSE");
return 0;
}
//************************************************************
void Observables::calculateEnergy()
{
deltaE = hamiltonian->getEnergy(r);
energyVector += deltaE;
energySquared += deltaE(0)*deltaE(0);
}
//************************************************************
void Observables::addEnergyTototEnergyVector()
{
totEnergyVector(cycle) = deltaE(0);
cycle += 1;
}
