exercises:2015_ethz_mmm:geometry_optimization
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exercises:2015_ethz_mmm:geometry_optimization [2015/02/12 13:27] – oschuett | exercises:2015_ethz_mmm:geometry_optimization [2015/02/12 13:30] – [Questions] oschuett | ||
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===== Questions ===== | ===== Questions ===== | ||
- | * Sketch the reaction profile for the two paths presented, reporting shape and activation | + | * After running geometry optimization (on one set of parameters, starting from different distances), do you always find the minimum |
- | * What are the major differences between | + | * If not, report |
exercises/2015_ethz_mmm/geometry_optimization.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1