-
Notifications
You must be signed in to change notification settings - Fork 520
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Feat: add ZBL weighted DP model #3210
Merged
Merged
Conversation
This file contains 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
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
…3240) solve some virial shape issue: should be [9] rather than [3,3] --------- Co-authored-by: Han Wang <[email protected]>
wanghan-iapcm
requested changes
Feb 7, 2024
Have jit passed? |
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
anyangml
commented
Feb 7, 2024
for more information, see https://pre-commit.ci
@njzjz Jit passed, check the UTs in this file deepmd-kit/deepmd/pt/model/model/pairtab_atomic_model.py Lines 50 to 84 in ccf63ce
|
for more information, see https://pre-commit.ci
wanghan-iapcm
approved these changes
Feb 8, 2024
njzjz
approved these changes
Feb 8, 2024
Closed
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Outdated suggestions cannot be applied.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.
This PR is to implement general linear combination of several DPAtomicModels with user defined weights, as well as a special case ZBLModel with weights calculated based on this paper:
Appl. Phys. Lett. 114, 244101 (2019); doi: 10.1063/1.5098061