Support X2C1e for GHF/GKS and implement Density Fitting for GHF/GKS#569
Open
puzhichen wants to merge 16 commits intopyscf:masterfrom
Open
Support X2C1e for GHF/GKS and implement Density Fitting for GHF/GKS#569puzhichen wants to merge 16 commits intopyscf:masterfrom
puzhichen wants to merge 16 commits intopyscf:masterfrom
Conversation
puzhichen
force-pushed
the
feat/ghf-x2c-df
branch
from
cad1707 to
52bec88
Compare
fix some bugs
puzhichen
force-pushed
the
feat/ghf-x2c-df
branch
from
1d61b68 to
d5f8f57
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
1 participant
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
This pull request implements two major enhancements:
X2C1e Support:
Density Fitting (DF):