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Parameteric study

PyCAC facilitates parametric study of select variables in CAC simulations. From the job submission window, click + to add a new parameterization, and select the desired command and available values from the dropdown menus. Fill in desired parameters for Increase and Number of Steps.

Single-value parameters

As an example, if we choose to parameterize the command grain_dir overlap, with Increase = 5.0 and Number of Steps = 10".

Initially the command in the input file reads:

grain_dir 2 0.0

10 additional simulation folders will be created, increasing the base value of overlap to 5.0 from 0.0. The lines in the corresponding input scripts would change as follows:

grain_dir 2 0.5
grain_dir 2 1.0
...
grain_dir 2 5.0

Vector-value parameters

If the command to be parameterized is vector-valued, for example in grain orientations defined in grain_mat, then Increase should similarly be a vector [di, dj, dk]. The text field will indicate if this special format is required.

Multiple parameterizations

Multiple parameterizations in one project can be declared. If the number of steps are N and M for the first and second parameterizations, respectively, (N+1)x(M+1) total simulations will be generated.