Mean field electric potential from outside rectangular simulation box. More...
#include <externalpotential.h>
Inheritance diagram for Faunus::Energy::ExternalAkesson:
Collaboration diagram for Faunus::Energy::ExternalAkesson:
Public Member Functions | |
| ExternalAkesson (const json &j, const Space &spc) | |
| double | energy (const Change &change) override |
| energy due to change | |
 Public Member Functions inherited from Faunus::Energy::ExternalPotential | |
| ExternalPotential (const json &j, const Space &spc) | |
| Public Member Functions inherited from Faunus::Energy::EnergyTerm | |
| 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
Mean field electric potential from outside rectangular simulation box.
Calculates the average potential outside a simulation box due to ion densities inside the box, extended to infinity. The update() function calculates the average charge densities in slits in the xy-plane and with a spacing dz. This is used to evaluate the electric potential along the z-axis by using the method by Torbjorn and CO (Mol. Phys. 1996, 87:407). To avoid energy drifts, update() returns the energy change brought about by updating the charge profile.
- Date
- Asljunga, December 2010.
- Todo:
- Split this into two classes; one with a static rho, and a derived that updates rho
The documentation for this class was generated from the following files:
- src/externalpotential.h
- src/externalpotential.cpp
