examples:potentials:pair:5
Differences
This shows you the differences between two versions of the page.
| Next revisionBoth sides next revision | |||
| examples_potentials_pair_5 [2013/08/15 16:02] – created daniel | examples_potentials_pair_5 [2013/08/15 16:03] – daniel | ||
|---|---|---|---|
| Line 29: | Line 29: | ||
| </ | </ | ||
| - | The optimization of single parameters can be disabled with this feature. | + | The optimization of single parameters can be disabled with this feature. |
| - | the optimization table and remain at the initial value. For all three lj-potentials in the above | + | the optimization table and remain at its initial value. For all three lj-potentials in the above |
| example the epsilon parameter will not be optimized, it will always have the fixed value of 0.1. | example the epsilon parameter will not be optimized, it will always have the fixed value of 0.1. | ||
| - | To fix a parameter, the lower and upper bound have to be the same. | + | To fix a parameter, the lower and upper bound have to be equal. |
| ==== makeapot ==== | ==== makeapot ==== | ||
examples/potentials/pair/5.txt · Last modified: 2018/01/10 17:36 by daniel