add atom energy bias to type embedding energy#1592
Merged
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom Mar 25, 2022
Merged
add atom energy bias to type embedding energy#1592wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
wanghan-iapcm merged 3 commits intodeepmodeling:develfrom
Conversation
Fix deepmodeling#684, where systems have different `atom_numb`. After this fix, RMSE should be quickly decreased in the very beginning.
Codecov Report
@@ Coverage Diff @@
## devel #1592 +/- ##
==========================================
- Coverage 76.75% 76.75% -0.01%
==========================================
Files 93 93
Lines 7790 7794 +4
==========================================
+ Hits 5979 5982 +3
- Misses 1811 1812 +1
Continue to review full report at Codecov.
|
wanghan-iapcm
approved these changes
Mar 25, 2022
njzjz
added a commit
to njzjz/deepmd-kit
that referenced
this pull request
Mar 28, 2022
Following deepmodeling#1592, I noticed that constants cannot be recovered when restart training.
amcadmus
pushed a commit
that referenced
this pull request
Mar 29, 2022
* convert constants (which may change) to variables Following #1592, I noticed that constants cannot be recovered when restart training. * add dtype to variables * cast int32 * bugfix * init atom_ener
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
3 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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 #684, where systems have different
atom_numb. After this fix, RMSE of energy should be quickly decreased in the very beginning.