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set specific mesh shapes for mixed type #2481

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merged 6 commits into from Jun 26, 2023

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@njzjz njzjz commented Apr 24, 2023

This PR sets specific mesh shapes (7 for pbc and 1 for no pbc) for mixed type.

So when an operator does not throw mixed type, it will throw errors. It will be more accurate than the implementation in #2433 to check if a model supports DPRc.

make_default_mesh is updated and out-of-date behaviors are removed.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Apr 24, 2023

Codecov Report

Patch coverage: 35.18% and project coverage change: -0.11 ⚠️

Comparison is base (edb4e69) 74.38% compared to head (f5a410e) 74.28%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2481      +/-   ##
==========================================
- Coverage   74.38%   74.28%   -0.11%     
==========================================
  Files         227      227              
  Lines       23401    23410       +9     
  Branches     1673     1680       +7     
==========================================
- Hits        17408    17391      -17     
- Misses       4896     4922      +26     
  Partials     1097     1097              
Impacted Files Coverage Δ
source/op/descrpt.cc 59.22% <0.00%> (-0.66%) ⬇️
source/op/descrpt_se_a_ef.cc 71.54% <0.00%> (-1.22%) ⬇️
source/op/descrpt_se_a_ef_para.cc 72.50% <0.00%> (-1.23%) ⬇️
source/op/descrpt_se_a_ef_vert.cc 72.50% <0.00%> (-1.23%) ⬇️
source/op/prod_env_mat_multi_device_nvnmd.cc 85.71% <0.00%> (-1.73%) ⬇️
source/op/prod_env_mat_multi_device.cc 92.32% <16.66%> (-1.32%) ⬇️
source/op/neighbor_stat.cc 79.36% <25.00%> (-0.48%) ⬇️
source/api_cc/src/common.cc 78.61% <50.00%> (-0.13%) ⬇️
deepmd/common.py 76.69% <100.00%> (-0.88%) ⬇️
deepmd/infer/data_modifier.py 88.31% <100.00%> (ø)
... and 4 more

... and 4 files with indirect coverage changes

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@njzjz njzjz marked this pull request as draft April 24, 2023 23:22
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@njzjz njzjz marked this pull request as ready for review April 25, 2023 00:21
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
@wanghan-iapcm wanghan-iapcm merged commit 25bf7d1 into deepmodeling:devel Jun 26, 2023
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@njzjz njzjz mentioned this pull request Feb 4, 2024
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3 participants