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update: add a new option of absolute volume in /dpgen/dpgen/auto_test/EOS.py #741

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merged 4 commits into from
Jun 12, 2022

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update: add a new option of absolute volume in /dpgen/dpgen/auto_test/EOS.py

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codecov-commenter commented May 30, 2022

Codecov Report

Merging #741 (dde101e) into devel (f66c2a7) will increase coverage by 0.93%.
The diff coverage is 70.00%.

@@            Coverage Diff             @@
##            devel     #741      +/-   ##
==========================================
+ Coverage   33.91%   34.84%   +0.93%     
==========================================
  Files          93       93              
  Lines       16562    16613      +51     
==========================================
+ Hits         5617     5789     +172     
+ Misses      10945    10824     -121     
Impacted Files Coverage Δ
dpgen/auto_test/EOS.py 64.58% <70.00%> (-0.13%) ⬇️
dpgen/remote/decide_machine.py 92.00% <0.00%> (-8.00%) ⬇️
dpgen/dispatcher/Dispatcher.py 31.64% <0.00%> (-0.35%) ⬇️
dpgen/data/reaction.py 0.00% <0.00%> (ø)
dpgen/simplify/simplify.py 0.00% <0.00%> (ø)
dpgen/data/surf.py 67.33% <0.00%> (+0.13%) ⬆️
dpgen/generator/run.py 63.70% <0.00%> (+1.41%) ⬆️
dpgen/util.py 88.23% <0.00%> (+10.45%) ⬆️

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@@ -24,6 +24,8 @@ def __init__(self,
self.vol_start = parameter['vol_start']
self.vol_end = parameter['vol_end']
self.vol_step = parameter['vol_step']
parameter['vol_abs'] = parameter.get('vol_abs', False)
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set_default is better than get.

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get is applied in other parts of dpgen. To keep consistency, I think it's ok.

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If you mean the other parts in this file, indeed I don't think they are ok. Here set_default is faster and more concise. I can approve this PR though.

@wanghan-iapcm wanghan-iapcm requested a review from njzjz June 12, 2022 03:07
@AnguseZhang AnguseZhang merged commit 7a5dc0c into deepmodeling:devel Jun 12, 2022
@HuangJiameng HuangJiameng deleted the JiamengHuang branch June 12, 2022 10:12
ZLI-afk pushed a commit to ZLI-afk/dpgen that referenced this pull request Jul 4, 2022
…/EOS.py (deepmodeling#741)

* update: add a new option of absolute volume in ./dpgen/auto_test/EOS.py

* update: add doc in /dpgen/doc/toymodels/

* update: change the description for eos, change the doc in /dpgen/doc/toymodels/

* update: change the notice of absolute volume from print into dlog.info
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4 participants