Skip to content

print out geometry information during bfgs_trad relax#6314

Merged
mohanchen merged 2 commits into
deepmodeling:developfrom
lanshuyue:bfgs_trad-print
Jun 19, 2025
Merged

print out geometry information during bfgs_trad relax#6314
mohanchen merged 2 commits into
deepmodeling:developfrom
lanshuyue:bfgs_trad-print

Conversation

@lanshuyue
Copy link
Copy Markdown
Collaborator

fix #6274

@lanshuyue lanshuyue requested a review from mohanchen June 19, 2025 08:57
@lanshuyue lanshuyue added Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes labels Jun 19, 2025
@mohanchen mohanchen merged commit 5f96c22 into deepmodeling:develop Jun 19, 2025
14 checks passed
@mohanchen
Copy link
Copy Markdown
Collaborator

Great job! Congratulations for the first PR!!! @lanshuyue

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Bugs Bugs that only solvable with sufficient knowledge of DFT Refactor Refactor ABACUS codes

Projects

None yet

Development

Successfully merging this pull request may close these issues.

dpdata cannot recognize all the frames in the running_cell-relax.log

2 participants