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Fix DPLR: Support time-dependent efield #2625

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merged 25 commits into from
Jun 25, 2023

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Yi-FanLi
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Supports the uses to define time-dependent efield through LAMMPS's variable feature.

@Yi-FanLi Yi-FanLi requested a review from njzjz June 20, 2023 01:32
@Yi-FanLi Yi-FanLi requested a review from wanghan-iapcm June 20, 2023 01:32
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codecov bot commented Jun 20, 2023

Codecov Report

Patch coverage: 44.44% and project coverage change: -0.02 ⚠️

Comparison is base (e124b7d) 78.45% compared to head (8af97a7) 78.43%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2625      +/-   ##
==========================================
- Coverage   78.45%   78.43%   -0.02%     
==========================================
  Files         233      232       -1     
  Lines       24373    24432      +59     
  Branches     1444     1461      +17     
==========================================
+ Hits        19121    19163      +42     
- Misses       4873     4877       +4     
- Partials      379      392      +13     
Impacted Files Coverage Δ
source/lmp/fix_dplr.cpp 74.58% <44.44%> (-2.90%) ⬇️

... and 1 file with indirect coverage changes

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@wanghan-iapcm wanghan-iapcm left a comment

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  • Could you please add to the document how to use the TD efield?
  • UT is needed.

source/lmp/fix_dplr.cpp Show resolved Hide resolved
@github-actions github-actions bot added the Docs label Jun 23, 2023
@Yi-FanLi Yi-FanLi requested a review from wanghan-iapcm June 23, 2023 23:15
@wanghan-iapcm wanghan-iapcm enabled auto-merge (squash) June 25, 2023 01:29
auto-merge was automatically disabled June 25, 2023 01:42

Head branch was pushed to by a user without write access

@wanghan-iapcm wanghan-iapcm enabled auto-merge (squash) June 25, 2023 01:54
auto-merge was automatically disabled June 25, 2023 02:41

Head branch was pushed to by a user without write access

@wanghan-iapcm wanghan-iapcm merged commit 9b8517e into deepmodeling:devel Jun 25, 2023
@Yi-FanLi Yi-FanLi deleted the efield branch June 25, 2023 06:37
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3 participants