Add nematic_order.py #5
Conversation
|
Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
There was a problem hiding this comment.
This is a good start! I gave @StephMcCallum some clues about the correct way to iterate through the bonds in a GSD file, you two should work together on what needs to be changed here (this implementation isn't quite right).
|
The recent commit seems to fix how bond vectors are calculated. I left a couple more about moving a couple of things inside the first for loop. For each snapshot, we need a new nematic order measurement. This means we'll have to create a new |
preliminary-work/nematic_order.py
Outdated
| The step size to use when iterating through start:stop | ||
| """ | ||
| nm_orders = [] | ||
| directors = [] #adding temporary directors list to export directors generated from nematic function |
There was a problem hiding this comment.
I like that we are also returning the director, so let's keep it, rather than it being temporary.
There was a problem hiding this comment.
Looks good to me. @StephMcCallum you can merge this whenever
Removed the Problem .ipynbs and added a working python file.