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.
As an example, if we choose to parameterize the command
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
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 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.