-
Notifications
You must be signed in to change notification settings - Fork 523
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
refactor DeepEval #3213
Merged
+2,543
−1,685
Merged
refactor DeepEval #3213
Changes from 1 commit
Commits
Show all changes
25 commits
Select commit
Hold shift + click to select a range
e713910
refactor DeepEval
njzjz b428fc2
fix cycle import
njzjz eb0b7d2
fix errors
njzjz 02b3a6d
fix PT tests
njzjz 4fa8754
fix FrozenModel
njzjz 6026ab7
add docs
njzjz 28c5c92
Merge branch 'devel' into deepeval-refactor
njzjz c262ef6
rename .model_format to .dpmodel
njzjz 4fe9511
rename DeepEvalBase to DeepEvalBackend as the meaning of base is unclear
njzjz e53b476
Merge remote-tracking branch 'origin/devel' into deepeval-refactor
njzjz 5b16abf
ckean OutputVariableDef
njzjz 51b5e7b
make atom_types to be int32
njzjz 3516792
add docs
njzjz 3bc7cb5
pass list[OutputVariableDef] instead of bool
njzjz acfd367
fix py38 compatibility
njzjz db6ac0d
Merge branch 'devel' into deepeval-refactor
njzjz be4e42f
use consistent output name for different backends
njzjz 199147c
remove the commented out code
njzjz 355c671
Merge branch 'devel' into deepeval-refactor
njzjz 8686fa1
use OutputVariableCategory to check odef
njzjz c0a4251
fix typo
njzjz d7bf113
improve docs and type hints
njzjz acc85fb
Merge branch 'devel' into deepeval-refactor
njzjz 295f4d7
change the OutputVariableDef argument from differentiable to r_differ…
njzjz 6b104e3
fix the virial shape since DERV_C changed from (3,3) to (9,)
njzjz File filter
Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
make atom_types to be int32
Co-authored-by: Han Wang <[email protected]> Signed-off-by: Jinzhe Zeng <[email protected]>
commit 51b5e7b75a7cdf7d4c4220a01eea16aa1702843e
There are no files selected for viewing
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
Oops, something went wrong.
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.
Check notice
Code scanning / CodeQL
Cyclic import Note