| Class | Description |
|---|---|
| IntegratorDimerMin |
Henkelman's Dimer Method (Minimum Energy Path).
|
| IntegratorDimerRT |
Henkelman's Dimer Method (Rotation and Translation).
|
| IntegratorEnergyMap | |
| P1LepsHarmonic |
A combination of the basic LEPS potential describing 3 atoms moving in 1-dimension, paired with a harmonic potential.
|
| PotentialCalculationForcePressureSumGB |
Sums the force on each iterated atom and adds it to the integrator agent
associated with the atom.
|
| SimDimerLJadatom |
Simulation using Henkelman's Dimer method to find a saddle point for
an adatom on a surface, modeled with LJ.
|