adding cp2k/restart_aimd_ouput#140
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merge recent development on devel to master
Merge into master on behalf of marian
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Could you please add a unittest test case to test the restart flag? I will write down the unittest and pull request to your repo soon. I a pr to your repo at dmh1998dmh#1 |
add unittest to cp2k restart
Codecov Report
@@ Coverage Diff @@
## master #140 +/- ##
==========================================
+ Coverage 84.36% 84.37% +0.01%
==========================================
Files 28 28
Lines 3326 3329 +3
==========================================
+ Hits 2806 2809 +3
Misses 520 520
Continue to review full report at Codecov.
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robinzyb
approved these changes
Apr 28, 2021
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When a restart_aimd_output is mentioned, the first step in
logfile is skipped. A restarted cp2k aimd example was also added.