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Modify the post_fp_cp2k function to generate multisystem data. Allows to run different system at one single iteration model_devi step. #1513
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… to run different system at one single iteration model_devi step.
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Please delete the code you want to delete instead of commenting it and leaving it here. : )
for more information, see https://pre-commit.ci
add dependency on cp2kdata
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #1513 +/- ##
==========================================
- Coverage 49.50% 49.50% -0.01%
==========================================
Files 83 83
Lines 14818 14816 -2
==========================================
- Hits 7336 7335 -1
+ Misses 7482 7481 -1 ☔ View full report in Codecov by Sentry. |
Now it looks good! |
Modify the post_fp_cp2k function to generate multisystem data. Allows to run different system at one single iteration model_devi step.