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exercises:2014_ethz_mmm:geometry_optimization [2014/10/15 12:36]
oschuett exercise:geometry_optimization renamed to exercise:2014_ethz_mmm:geometry_optimization
exercises:2014_ethz_mmm:geometry_optimization [2014/10/15 13:01] (current)
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 === 6. Step === === 6. Step ===
-Run the input for different satrting distances, and check whether the simulation always find the minimal energy configuration. To run multiple simulations,​ you might have a look at [[exercise:single_point_calculation|Computation of the Lennard Jones curve for two Ar atoms]], Part II.+Run the input for different satrting distances, and check whether the simulation always find the minimal energy configuration. To run multiple simulations,​ you might have a look at [[single_point_calculation|Computation of the Lennard Jones curve for two Ar atoms]], Part II. 
exercises/2014_ethz_mmm/geometry_optimization.txt · Last modified: 2014/10/15 13:01 (external edit)