Flesh out MGGA interfaces #37
Merged
wavefunction91 merged 45 commits intomasterfrom Apr 24, 2024
Merged
Conversation
… backend (no builtin yet)
…except for small eval
…ANL_C derived impl + UTs
…e, found tons a bugs, had to add Fermi hole curvature + sigma/tau thresholding + polarization thresholding to fix agreement - SCAN(L) + KEDFs no longer work (UTs disabled)
…l verify of PC07{,_OPT}_K. Redisable SCANL
… v7 gets rolled out
…iscovered and not built
…ent - SCANL_C passes
…e know it's unstable
wavefunction91
force-pushed
the
mgga_laplacian_check
branch
from
e901168 to
4d660e4
Compare
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Kernel/Functional) for common MGGA functionals (SCAN/R2SCANL)