Add helper function to generate stress vs strain data from a flowerMD tensile test simulation #87
Conversation
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| if bootstrap_sampling: | ||
| n_data_points = len(stress) | ||
| n_samples = 5 | ||
| window_size = n_data_points // 5 |
There was a problem hiding this comment.
probably want n_samples in our denominator here
for more information, see https://pre-commit.ci
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
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.