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Create :: Constraint

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mrnucleation edited this page Mar 18, 2019 · 6 revisions

Create :: Constraint

This command applies a set of constraints that will be used during the simulation. These constraints are move rejection criteria that can be used to force the simulation to sample system desired configurations or it can be used to create early rejection criteria for efficiency purposes.

Format:

Create Constraint (Box Number) 
    (Constraint 1 Style)
    (Constraint 2 Style)
      ...
    (Constraint N Style)
End_Create

Constraint Styles:

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