Sto dft#4
Merged
mohanchen merged 7 commits intoabacusmodeling:masterfrom Feb 27, 2021
mohanchen:sto_dft
Merged
Conversation
PeizeLin
pushed a commit
to PeizeLin/abacus-develop
that referenced
this pull request
Sep 20, 2024
kirk0830
pushed a commit
to PeizeLin/abacus-develop
that referenced
this pull request
Sep 29, 2024
* Refactor: move functions with libxc in class XC_Functional to namespace XC_Functional_Libxc * Refactor: move codes in XC_Functional_Libxc::v_xc_libxc() to individual functions * Fix bugs in XC_Functional_Libxc * Refactor little codes in XC_Functional_Libxc * fix compile with UT (abacusmodeling#4) * change vector to array in xc_functional_libxc * Fix: remove GlobalV::NSPIN and fix bugs --------- Co-authored-by: LUNASEA <33978601+maki49@users.noreply.github.com>
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
3 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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Initially compelete stochastic dft module.