Add helper function to generate stress vs strain data from a flowerMD tensile test simulation #87
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added 8 commits
March 12, 2024 16:16
| if bootstrap_sampling: | ||
| n_data_points = len(stress) | ||
| n_samples = 5 | ||
| window_size = n_data_points // 5 |
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probably want n_samples in our denominator here
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This PR adds a function that can be used to plot stress vs strain data, and to get a Young's Modulus. I'm still a bit unsure how to best handle the averaging/sampling if the tensile test simulation involves running fo some period between box updates.
Right now, the options are to sample stress from the last half of the period, or to try some boot-strap sampling from the period.
I'm not saying either of these are correct, but I wanted to open this PR to begin a discussion on how to best get pressure/stress averages from tensile test simulations.