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Constraint :: EnergyFloor
mrnucleation edited this page Mar 18, 2019
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The EnergyFloor constraint prevents the simulation box from moving to a energy state that is lower than the specified energy. This enforcement can change statistical averages of the system and should not be used carelessly. Please make sure you know what you are doing before messing with this.
The input energies will use the same units that are defined by the set energyunit command.
Format:
EnergyFloor (Energy Style) (Value)
Example:
EnergyFloor mol -0.4
EnergyFloor total -400.0
- total
- mol
- atom