coderabbitai[bot]
commented
1 week ago Walkthrough
## Walkthrough This update primarily addresses issues with seed handling in the `deepmd` descriptor and attention modules. Specifically, seed incrementation logic was added to multiple functions in response to certain conditions. Additionally, several tests were modified to reflect new expected values due to the changed seed handling logic. ## Changes | File | Change Summary | |----------------------------------------------|----------------------------------------------------------------------------------------------------------------------------------| | `deepmd/descriptor/se_a.py` | Added logic to increment `self.seed` by `self.seed_shift` under certain conditions; renamed return variable and modified return logic | | `deepmd/descriptor/se_atten.py` | Added conditional seed incrementation within `_attention_layers` and `_filter_lower` functions | | `source/tests/test_model_se_a_ebd_v2.py` | Updated `refe`, `reff`, and `refv` arrays' values in the `test_model` function | | `source/tests/test_pairwise_dprc.py` | Modified expected values in `test_model_ener` method to `4.82969` and `-0.104339` | ## Assessment against linked issues | Objective (Issue Number) | Addressed | Explanation | |--------------------------------------------------------------------|-----------|------------------------------------| | Ensure seeds of descriptor/fitting in dpmodel are passed to network (#3799) | ✅ | |[!TIP]
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Recent review details
**Configuration used: CodeRabbit UI** **Review profile: CHILL**Commits
Files that changed from the base of the PR and between a85d58f71911e97fcb06605a7b9e5df58b5a0ec2 and e4ae74bf949fc35562ffb22809622eebc43fac37.Files selected for processing (4)
* deepmd/descriptor/se_a.py (3 hunks) * deepmd/descriptor/se_atten.py (8 hunks) * source/tests/test_model_se_a_ebd_v2.py (1 hunks) * source/tests/test_pairwise_dprc.py (1 hunks)Additional comments not posted (15)
source/tests/test_model_se_a_ebd_v2.py (3)
`142-142`: **Verify the updated reference value for `refe`.** Ensure that the new value `[6.100037044296185e-01]` is correct and consistent with the expected results. --- `144-161`: **Verify the updated reference values for `reff`.** Ensure that the new values are correct and consistent with the expected results. --- `164-172`: **Verify the updated reference values for `refv`.** Ensure that the new values are correct and consistent with the expected results.source/tests/test_pairwise_dprc.py (2)
`522-522`: **Verify the updated expected value for `e[0]`.** Ensure that the new value `4.82969` is correct and consistent with the expected results. --- `523-523`: **Verify the updated expected value for `f[0, 0]`.** Ensure that the new value `-0.104339` is correct and consistent with the expected results.deepmd/descriptor/se_a.py (3)
`1034-1035`: **LGTM! Conditional increment of the seed.** The seed is incremented correctly based on the conditions. --- Line range hint `1047-1067`: **LGTM! Correct parameters passed to `filter_lower_R42GR`.** The function call includes the necessary parameters including the newly added `self.seed`, `self.seed_shift`, and `self.uniform_seed`. --- `1065-1066`: **LGTM! Conditional increment of the seed.** The seed is incremented correctly based on the conditions.deepmd/descriptor/se_atten.py (7)
`962-963`: **Conditional seed increment.** The increment of `self.seed` ensures that each layer has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `977-978`: **Conditional seed increment.** The increment of `self.seed` ensures that each layer has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `992-993`: **Conditional seed increment.** The increment of `self.seed` ensures that each layer has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `1026-1027`: **Conditional seed increment.** The increment of `self.seed` ensures that each layer has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `1091-1092`: **Conditional seed increment.** The increment of `self.seed` ensures that each filter has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `1132-1133`: **Conditional seed increment.** The increment of `self.seed` ensures that each filter has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`. --- `1191-1192`: **Conditional seed increment.** The increment of `self.seed` ensures that each filter has a different seed when `self.uniform_seed` is `False` and `self.seed` is not `None`.
codecov[bot]
Summary by CodeRabbit
Bug Fixes
self.seedconditionally in descriptor modules.Tests
refe,reff, andrefvwith new reference values.test_model_enermethod for better accuracy.These changes ensure more reliable descriptor computations and improved test accuracy.
(cherry picked from commit 0c472d1596ae24b5b548ae6ae38688dbab911de5)