A basic accumulator which immediately computes and adds energy of a pair of particles upon addition using the PairEnergy templated class. More...
#include <energy.h>
Inheritance diagram for Faunus::Energy::InstantEnergyAccumulator< PairEnergy >:
Collaboration diagram for Faunus::Energy::InstantEnergyAccumulator< PairEnergy >:
Public Member Functions | |
| InstantEnergyAccumulator (const PairEnergy &pair_energy, const double value=0.0) | |
| InstantEnergyAccumulator & | operator= (const double new_value) override |
| InstantEnergyAccumulator & | operator+= (const double new_value) override |
| InstantEnergyAccumulator & | operator+= (ParticlePair &&pair) override |
| void | from_json (const json &j) override |
 Public Member Functions inherited from Faunus::Energy::EnergyAccumulatorBase | |
| EnergyAccumulatorBase (double value) | |
| virtual void | reserve (size_t number_of_particles) |
| virtual void | clear () |
| virtual void | to_json (json &j) const |
| virtual | operator double () |
| template<typename TOtherAccumulator > | |
| EnergyAccumulatorBase & | operator+= (TOtherAccumulator &acc) |
Additional Inherited Members | |
| Public Types inherited from Faunus::Energy::EnergyAccumulatorBase | |
| enum | Scheme { SERIAL, OPENMP, PARALLEL, INVALID } |
| Public Attributes inherited from Faunus::Energy::EnergyAccumulatorBase | |
| Scheme | scheme = Scheme::SERIAL |
| Protected Types inherited from Faunus::Energy::EnergyAccumulatorBase | |
| using | ParticleRef = const std::reference_wrapper< const Particle > |
| Particle reference. | |
| using | ParticlePair = std::pair< ParticleRef, ParticleRef > |
| References to two particles. | |
| Protected Attributes inherited from Faunus::Energy::EnergyAccumulatorBase | |
| double | value = 0.0 |
| accumulated energy | |
Detailed Description
template<RequirePairEnergy PairEnergy>
class Faunus::Energy::InstantEnergyAccumulator< PairEnergy >
A basic accumulator which immediately computes and adds energy of a pair of particles upon addition using the PairEnergy templated class.
Generally this is the original way how the pairwise nonbonded energy has been computed in Faunus. Due to compiler optimization, templated class method 'PairEnergy.potential' may be inlined to significantly improve performance.
- Template Parameters
-
PairEnergy pair energy implementing a potential(a, b) method for particles a and b
The documentation for this class was generated from the following file:
- src/energy.h
