exercises:2014_ethz_mmm:geometry_optimization
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionLast revisionBoth sides next revision | ||
exercise:geometry_optimization [2014/02/21 11:28] – oschuett | exercise:2014_ethz_mmm:geometry_optimization [2014/10/15 12:56] – oschuett | ||
---|---|---|---|
Line 1: | Line 1: | ||
====== Geometry Optimization ====== | ====== Geometry Optimization ====== | ||
- | In this exercise you will run a geometry optimization calculation, | + | In this exercise you will run a geometry optimization calculation, |
=== 1. Step === | === 1. Step === | ||
Line 82: | Line 82: | ||
=== 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, | + | Run the input for different satrting distances, and check whether the simulation always find the minimal energy configuration. To run multiple simulations, |
exercises/2014_ethz_mmm/geometry_optimization.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1