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° | AnnealSteps | - | Set simulated annealing steps |
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| Command | | Argument | | Datatype | | Default | | Min |
| Max | |
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| Format: | | AnnealSteps | Number = Number of simulation steps between cooling events | | INT | | - | | - | | - | | |
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| Python: | | AnnealSteps(number) | | ||||||||||
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| Menu: | | Simulation > Temperature control > Parameters | | ||||||||||
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| Related: | | Temp , TempCtrl, MinStep | | ||||||||||
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| Required: | |  | |
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The AnnealSteps
command influences the speed of cooling during a simulated annealing minimization activated with
TempCtrl Anneal.
A simulated annealing minimization usually follows an initial short steepest descent minimization
(to remove bumps), since it's much faster at finding the energy minimum.
During simulated annealing, the simulation cell is slowly cooled towards
0K by downscaling the atom velocities with 0.9. The AnnealSteps
command specifies how many simulation steps lie between two scaling events. The higher the number,
the slower the annealing.
Example:
AnnealSteps 10
Multiply atom velocities with 0.9 every 10 simulation steps.