Implement a modified Gram-Schmidt orthonormalization algorithm#284
Implement a modified Gram-Schmidt orthonormalization algorithm#284janbridley wants to merge 18 commits into
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Code-wise, everything looks good to me to be merged in to box. Should we add a disclaimer about usage (e.g. when to prefer using QR)? Also, I wonder, how far do we want to go in terms of implementing & supporting LA algorithms as part of hoomd-rs vs. having the users supply their own code for these operations? |
I'll add a note re: using the other QR code. IN terms of supporting LA more generally, my goal is to implement what we have a need/clear use case for but I can definitely see a more minimal set being valuable |
Description
Motivation and context
Resolves #???
How has this been tested?
Checklist:
doc/src/credits.md) in the pull request source branch.release-notes.mdfollowing the established format.