support exclude_types for se_atten #2315
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
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportBase: 74.80% // Head: 27.45% // Decreases project coverage by
📣 This organization is not using Codecov’s GitHub App Integration. We recommend you install it so Codecov can continue to function properly for your repositories. Learn more Additional details and impacted files@@ Coverage Diff @@
## devel #2315 +/- ##
===========================================
- Coverage 74.80% 27.45% -47.35%
===========================================
Files 217 215 -2
Lines 21644 19877 -1767
Branches 1586 1321 -265
===========================================
- Hits 16191 5458 -10733
- Misses 4430 13870 +9440
+ Partials 1023 549 -474
Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here. ☔ View full report at Codecov. |
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
iProzd
approved these changes
Feb 13, 2023
dingye18
added a commit
to dingye18/deepmd-kit
that referenced
this pull request
Feb 17, 2023
* print MAE for `dp test` (deepmodeling#2310) Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Fix bug deepmodeling#2311 when using FP32 in se_atten (deepmodeling#2312) Fix bug deepmodeling#2311 when using FP32 in se_atten * support multiple frames DeepPot in C/hpp API (deepmodeling#2309) * Add DeepPot C API v2 to support multiple frames. Also, preserve the arguments for fparam and aparam for future use (planned in deepmodeling#2236). V1 is kept for API and ABI compatibility. * Support multiple frames for DeepPot hpp API. The API compatibility is kept. Add tests for new situation. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * Implementation of se_a_mask op (deepmodeling#2313) * Implement se_a_mask op. Training and inference (c++ interface) are tested. Unit test files are required. * Fix bug in atom pref setting for forces. * Add the unit test for descrpt se_a_mask * Remove the unit test for dp mask model * Update dp mask system path for unit test --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * support exclude_types for se_atten (deepmodeling#2315) Fix deepmodeling#2232. Also, clean old useless codes for `exclude_types`. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * fix restarting from the original model (deepmodeling#2317) deepmodeling#2253 supports restarting from the compressed model but breaks the original model. This PR fixes the error by detecting the model type first. ``` FAILED_PRECONDITION: Attempting to use uninitialized value ``` --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * package dp_ipi in the PyPI wheels (deepmodeling#2320) Fix deepmodeling#2282. In addition, change the return code of `dp_ipi` (without any arguments) from 1 to 0. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * build Docker images for each push (deepmodeling#2324) and push the image to the GitHub container. Also, provide the pypi CUDA support for pypi LAMMPS. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * Fix typo in install docs (deepmodeling#2325) Signed-off-by: Chun Cai <amoycaic@gmail.com> * Add a script to detect model version (deepmodeling#2318) This PR adds a script in deepmd/utils to detect the version of a Deep Potential model. --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Signed-off-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Duo <50307526+iProzd@users.noreply.github.com> Co-authored-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Yifan Li李一帆 <yifanl0716@gmail.com>
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.
Fix #2232.
Also, clean old useless codes for
exclude_types.