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Example_dp2.x_lmp_gaussian #887

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merged 10 commits into from
Aug 21, 2022

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ziqi-hu
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@ziqi-hu ziqi-hu commented Aug 18, 2022

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@wanghan-iapcm wanghan-iapcm left a comment

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Could you please check the new examples by test_check_examples.py? We do not want to manually check them.

@HuangJiameng
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image

It seems that you bring the changes when you switch to this branch.

@ziqi-hu ziqi-hu requested a review from wanghan-iapcm August 18, 2022 13:40
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njzjz commented Aug 18, 2022

Please fix the errors reported by the unit test. You can firstly test on your local machine before pushing commits.

dpgen/generator/arginfo.py Outdated Show resolved Hide resolved
add ratio_failed for fp_style_gaussian_args.

Signed-off-by: ziqi-hu <[email protected]>
delete init_multi_systems

Signed-off-by: ziqi-hu <[email protected]>
delete init_multi_systems from param.json

Signed-off-by: ziqi-hu <[email protected]>
Remove the changes in deepmodeling#885

Signed-off-by: ziqi-hu <[email protected]>
add ratio_failed for fp_style_gaussian_args

Signed-off-by: ziqi-hu <[email protected]>
Remove “fp_pp_path” and “fp_pp_files”

Signed-off-by: ziqi-hu <[email protected]>
@wanghan-iapcm wanghan-iapcm requested a review from njzjz August 21, 2022 03:29
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codecov-commenter commented Aug 21, 2022

Codecov Report

Merging #887 (fea71cb) into devel (d55d400) will increase coverage by 0.02%.
The diff coverage is 100.00%.

@@            Coverage Diff             @@
##            devel     #887      +/-   ##
==========================================
+ Coverage   38.12%   38.14%   +0.02%     
==========================================
  Files          99       99              
  Lines       17782    17767      -15     
==========================================
- Hits         6779     6778       -1     
+ Misses      11003    10989      -14     
Impacted Files Coverage Δ
dpgen/generator/arginfo.py 100.00% <100.00%> (ø)
dpgen/generator/run.py 62.50% <0.00%> (+0.29%) ⬆️

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@wanghan-iapcm wanghan-iapcm merged commit 5dc7c1b into deepmodeling:devel Aug 21, 2022
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5 participants