Join GitHub today
GitHub is home to over 28 million developers working together to host and review code, manage projects, and build software together.Sign up
Added compute for Polyhedral Template Matching #1120
This adds a compute for Polyhedral Template Matching (PTM), a method for analysis of local crystalline order.
Peter Mahler Larsen
This compute should not affect backwards compatibility.
I have tested the new compute on a few data sets. The code for PTM itself is well tested now - it has been part of OVITO and ASAP for two years.
Post Submission Checklist
Please check the fields below as they are completed
Example inputs are included in the documentation
Further Information, Files, and Links
The PTM paper can be found here:
@pmla thanks for your contribution.
@pmla thanks for taking the time. this takes care of the most obvious concern, and so i can take a closer look. now i am looking at function name and avoiding namespace clashes. there are two more issues from simply looking over the changes in the pull request.
sorry, if i am being a bit nitpicky here, but as the LAMMPS is continually growing with useful contribution like yours, we want to make sure, that the probability of conflicts with current or future contributions remains very low.
@pmla this looks like it can be merged soon. We just need to wait for the approval of the build system related changes. i've updated the documentation and a few relevant files in the build and github support. Please consider providing at least one small and fully runnable example in examples/USER/ptm it will help people to get started.