Bugfix: Isotope and boundary scattering terms #208
Merged
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
Update required c++ std to 17 on installation page
…out overflowing the quantities used in read-in
…t pdtran reduced the cost
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Outdated suggestions cannot be applied.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.
Summary
Bugfix of two scattering rates:
This is an important bug fix for those running phonon relaxon or variational BTE calculations (where the full matrix is needed and symmetry cannot be used) and also for those using the boundary scattering feature.
Other minor changes:
symmetrizeMatrixvariable again has been set to true, as this should have been amended in PR Switch manual tranpose of distributed matrix for ScaLAPACK pdtran #201.Major thanks goes to Michele Simoncelli (@MSimoncelli) for his help in the debugging process.