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fix typos and optimize autotest part in README #899

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merged 8 commits into from
Aug 24, 2022

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kevinwenminion
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  1. README is updated especially for the autotest part.
  2. We change the default deformation parameters in Elastic to 1e-2 which is more reasonable for calculating elastic constants.

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codecov-commenter commented Aug 21, 2022

Codecov Report

Merging #899 (693989c) into devel (180c3b4) will increase coverage by 0.00%.
The diff coverage is 100.00%.

@@           Coverage Diff           @@
##            devel     #899   +/-   ##
=======================================
  Coverage   38.14%   38.14%           
=======================================
  Files          99       99           
  Lines       17766    17767    +1     
=======================================
+ Hits         6777     6778    +1     
  Misses      10989    10989           
Impacted Files Coverage Δ
dpgen/auto_test/Elastic.py 63.02% <100.00%> (ø)
dpgen/generator/arginfo.py 100.00% <0.00%> (ø)

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@HuangJiameng
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What do you think about the connection between README and wiki on autotest? Could you help to combine their content into one document and put it on DPGEN’s documentation?

@wanghan-iapcm
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What do you think about the connection between README and wiki on autotest? Could you help to combine their content into one document and put it on DPGEN’s documentation?

This PR intends to replace the autotest doc in the wiki. All information in the wiki is supposed to be moved to README

README.md Outdated
### The content of the auto_test
To know what actually will dpgen autotest do, including the lammps and vasp script, the input file and atom configuration file auto_test will generate, please refer to https://hackmd.io/@yeql5ephQLaGJGgFgpvIDw/rJY1FO92B
### More Information of Autotest
For more information of autotest, please refer to [dpgen wiki](https://github.com/deepmodeling/dpgen/wiki).
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This PR intends to replace the autotest doc in the wiki. All information in the wiki is supposed to be moved to README

But the wiki is cited here. Should we keep the wiki separate or move it to the documentation site?

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@kevinwenminion plz move it to the documentation site

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#891 this pr move the wiki to the documentation site

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I have removed the citation of wiki in README. Users can learn how to use autotest very quickly by reading the updated autotest part in README.

@wanghan-iapcm wanghan-iapcm merged commit 8055e77 into deepmodeling:devel Aug 24, 2022
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6 participants