Inheritance diagram for EnergyCalculator:
Public Member Functions | |
EnergyCalculator (Real threshold, const PSpaceManager *grid, EnergyCalcFn energyFn) | |
void | operator() (PAtom *atom, PBond *bondFrom) |
Real | getTotalEnergy () |
EnergyCalculator::EnergyCalculator | ( | Real | threshold, | |
const PSpaceManager * | grid, | |||
EnergyCalcFn | energyFn | |||
) | [inline] |
Implements AtomFunctor.
Real EnergyCalculator::getTotalEnergy | ( | ) | [inline] |