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The NMR parameters are obtained from single point calculations within the optimized geometry, differing only from the prior optimization runs in that a larger basis set cutoff of 60 Ry was applied.
They were accompanied by several smaller optimization runs where, e.g., only the parameters of a single protein were optimized.
Table 2 Optimization run time examples Ull.
The overall look-ahead rolling optimization runs every one hour with an updated wind power forecast.
The rolling optimization runs hourly, i.e. 24 times in one day.
Interaction with the parallel coordinates charts further allows planners to steer consecutive optimization runs based on their preferences and experience.
The parallel efficiency of the method is confirmed with optimization runs on 1, 2, 4, and 8 processors.
Global optimization with GE consists of many local optimization runs with or without the escape function using the damped-least-squares method.
However, the available algorithms are still not mature enough to ensure computation accuracy and/or to guarantee convergence in every optimization run.
In all optimization runs, reasonable parameter values were found within the first five to ten generations and further optimized in the subsequent iterations (see figure S3).
In the smaller optimization runs the population sizes were reduced to 100.150, but the number of generations was kept the same.
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