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fix se_atten variable names when suffix is given #2631

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merged 3 commits into from
Jun 25, 2023

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@njzjz njzjz commented Jun 23, 2023

It seems that #1891 wrongly added a suffix to the variable names to make them like filter_type_all_suffix/matrix_1_suffix. However, it is expected to be filter_type_all_suffix/matrix_1, consistent in other descriptors and the following method.

if suffix != "":
embedding_net_pattern = (
EMBEDDING_NET_PATTERN.replace("/idt", suffix + "/idt")
.replace("/bias", suffix + "/bias")
.replace("/matrix", suffix + "/matrix")
)

It seems that deepmodeling#1891 wrongly added a suffix to the variable names to make them like `filter_type_all_suffix/matrix_1_suffix`. However, it is expected to be `filter_type_all_suffix/matrix_1` which is consistent in other classes and methods.

Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz requested review from iProzd and wanghan-iapcm June 23, 2023 22:25
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codecov bot commented Jun 23, 2023

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.03 🎉

Comparison is base (473893e) 78.58% compared to head (33adbb2) 78.62%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2631      +/-   ##
==========================================
+ Coverage   78.58%   78.62%   +0.03%     
==========================================
  Files         233      233              
  Lines       24117    24117              
  Branches     1409     1409              
==========================================
+ Hits        18953    18962       +9     
+ Misses       4804     4795       -9     
  Partials      360      360              
Impacted Files Coverage Δ
deepmd/descriptor/se_atten.py 93.99% <100.00%> (ø)

... and 1 file with indirect coverage changes

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njzjz added 2 commits June 23, 2023 19:09
Signed-off-by: Jinzhe Zeng <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz requested a review from nahso June 24, 2023 00:03
@wanghan-iapcm wanghan-iapcm merged commit e124b7d into deepmodeling:devel Jun 25, 2023
wanghan-iapcm pushed a commit that referenced this pull request Jun 26, 2023
@njzjz njzjz mentioned this pull request Jul 17, 2023
wanghan-iapcm pushed a commit that referenced this pull request Jul 20, 2023
Add an experimental model called pairwise DPRc, which is fragment-based
and integrated with QM/MM. Compression inference and training are
supported.
Unit tests and documentation have been added.

Some features or bugfix to implement this PR have been merged in #2549,
#2600, #2601, #2604, #2631, #2635, #2665, #2666, #2667, and #2679.
This PR makes some changes to `model.build_descrpt` additionally:
- fix errors when the suffix is not empty
- fix errors when `fparam` or `aparam` are given
- support model-customized `input_map`

---------

Signed-off-by: Jinzhe Zeng <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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4 participants