Feature: init_chg hr for initializing charge density with hrs1_nao.csr#6791
Merged
mohanchen merged 3 commits intodeepmodeling:developfrom Jan 9, 2026
Merged
Feature: init_chg hr for initializing charge density with hrs1_nao.csr#6791mohanchen merged 3 commits intodeepmodeling:developfrom
init_chg hr for initializing charge density with hrs1_nao.csr#6791mohanchen merged 3 commits intodeepmodeling:developfrom
Conversation
init_chg hr for initializing charge density with hrs1_nao.csr
mohanchen
reviewed
Dec 17, 2025
mohanchen
approved these changes
Jan 9, 2026
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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Reminder
Linked Issue
Fix #6792
hrs1_nao.csr file is large, test case should be designed to reduce memory, will be updated later.
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)