Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Allow custom lattice for density plot and ShapeAnalyzer #225

Merged
merged 3 commits into from
Dec 18, 2023
Merged

Allow custom lattice for density plot and ShapeAnalyzer #225

merged 3 commits into from
Dec 18, 2023

Conversation

stefsmeets
Copy link
Contributor

@stefsmeets stefsmeets commented Dec 13, 2023 •
edited
Loading

This PR makes gemdat a bit more flexible to specify custom lattices.

Closes #198

@stefsmeets stefsmeets changed the title Allow custom lattice for density plot Allow custom lattice for density plot and ShapeAnalyzer Dec 13, 2023
@stefsmeets
Copy link
Contributor Author

Hi @AstyLavrinenko would this help to reduce lattice matchmaking? 😅 Let me know if there are other areas where this comes up.

@stefsmeets stefsmeets marked this pull request as ready for review December 13, 2023 14:14
@stefsmeets stefsmeets merged commit bbbf118 into main Dec 18, 2023
3 checks passed
@stefsmeets stefsmeets deleted the default-lattice branch December 18, 2023 10:22
@AstyLavrinenko
Copy link
Contributor

Hi @stefsmeets
I've tested it out with my structure, and things seem to be running smoothly. I'm quite pleased with the results – the increased flexibility in customizing the analysis really helps dial down the lattice matchmaking issues. As of now, I haven't come across any other places where lattice mismatch might be a concern. However, if I come across anything, I'll open an additional issue and keep you posted. Thanks! 😄

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@AstyLavrinenko AstyLavrinenko Awaiting requested review from AstyLavrinenko

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.

Default to lattice from trajectory for analysis
2 participants
@stefsmeets @AstyLavrinenko