Custom energy between pair of molecules. More...
#include <energy.h>
Inheritance diagram for Faunus::Energy::CustomGroupGroup:
Collaboration diagram for Faunus::Energy::CustomGroupGroup:
Public Member Functions | |
| CustomGroupGroup (const json &j, const Space &spc) | |
| double | energy (const Change &change) override |
| energy due to change | |
 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. | |
Detailed Description
Custom energy between pair of molecules.
For two different or equal molecule ids, this adds a user defined energy in a function given at run-time. In addition to physical constants, the following parameters are exposed:
- "R" Mass center separation
- "Z1" and "Z2" mean charges of the two molecules
The documentation for this class was generated from the following files:
- src/energy.h
- src/energy.cpp
