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fp: add document and example for Quantum Espresso #1405

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merged 7 commits into from
Nov 20, 2023

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Yi-FanLi
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Add doc and exmple for pwscf (Quantum Espresso).

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codecov bot commented Nov 19, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (3627853) 48.98% compared to head (0867e55) 49.02%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #1405      +/-   ##
==========================================
+ Coverage   48.98%   49.02%   +0.04%     
==========================================
  Files          83       83              
  Lines       14796    14808      +12     
==========================================
+ Hits         7248     7260      +12     
  Misses       7548     7548              

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dpgen/generator/arginfo.py Outdated Show resolved Hide resolved
@njzjz njzjz linked an issue Nov 19, 2023 that may be closed by this pull request
Yi-FanLi and others added 4 commits November 18, 2023 23:24
Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Yifan Li李一帆 <yifanl0716@gmail.com>
@Yi-FanLi Yi-FanLi requested a review from njzjz November 19, 2023 05:32
@wanghan-iapcm wanghan-iapcm merged commit b8d72f3 into deepmodeling:devel Nov 20, 2023
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[Documentation] add fp variant pwscf
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