Used to add self energies to atoms from i.e. More...
#include <externalpotential.h>
Inheritance diagram for Faunus::Energy::ParticleSelfEnergy:
Collaboration diagram for Faunus::Energy::ParticleSelfEnergy:
Public Member Functions | |
| ParticleSelfEnergy (Space &, std::function< double(const Particle &)>) | |
 Public Member Functions inherited from Faunus::Energy::ExternalPotential | |
| ExternalPotential (const json &j, const Space &spc) | |
| double | energy (const Change &j) override |
| energy due to change | |
| void | to_json (json &j) const override |
| json output | |
| Public Member Functions inherited from Faunus::Energy::EnergyTerm | |
| virtual void | sync (EnergyTerm *other_energy, const Change &change) |
| Sync (copy from) another energy instance. More... | |
| virtual void | init () |
| reset and initialize | |
| virtual void | updateState (const Change &change) |
| Update internal state to reflect change in e.g. Space. More... | |
| virtual void | force (PointVector &forces) |
| update forces on all particles | |
Additional Inherited Members | |
| Public Types inherited from Faunus::Energy::EnergyTerm | |
| enum | MonteCarloState { ACCEPTED, TRIAL, NONE } |
| Public Attributes inherited from Faunus::Energy::EnergyTerm | |
| MonteCarloState | state = MonteCarloState::NONE |
| std::string | name |
| Meaningful name. | |
| std::string | citation_information |
| Possible reference; may be left empty. | |
| TimeRelativeOfTotal< std::chrono::microseconds > | timer |
| Timer for measuring speed. | |
| Protected Attributes inherited from Faunus::Energy::ExternalPotential | |
| const Space & | space |
| reference to simulation space | |
| std::function< double(const Particle &)> | externalPotentialFunc |
| energy of single particle | |
Detailed Description
Used to add self energies to atoms from i.e.
electrostatic schemes
The energy class "Nonbonded" detects if a pair-potential carries a self-energy and will automatically inject an instance of ParticleSelfEnergy into the Hamiltonian.
The constructor requires a functor that operates on each particle and returns the resulting energy (kT)
The documentation for this class was generated from the following files:
- src/externalpotential.h
- src/externalpotential.cpp
