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Add libxc functional names#234

Merged
awvwgk merged 5 commits intodftd4:mainfrom
marvinfriede:libxc-names
Jan 23, 2024
Merged

Add libxc functional names#234
awvwgk merged 5 commits intodftd4:mainfrom
marvinfriede:libxc-names

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@marvinfriede
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codecov bot commented Jan 16, 2024

Codecov Report

Attention: 6 lines in your changes are missing coverage. Please review.

Comparison is base (24dcc07) 40.94% compared to head (862f2d5) 41.16%.

Files Patch % Lines
test/unit/test_param.f90 55.55% 2 Missing and 2 partials ⚠️
src/dftd4/param.f90 71.42% 0 Missing and 2 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #234      +/-   ##
==========================================
+ Coverage   40.94%   41.16%   +0.21%     
==========================================
  Files          33       33              
  Lines        2955     2964       +9     
  Branches     1342     1345       +3     
==========================================
+ Hits         1210     1220      +10     
+ Misses       1013     1005       -8     
- Partials      732      739       +7     

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@marvinfriede marvinfriede requested a review from awvwgk January 22, 2024 16:34
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Can we have a new unit test for the libxc names?

@marvinfriede
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Can we have a new unit test for the libxc names?

Sure.

@awvwgk awvwgk merged commit 4f81bc6 into dftd4:main Jan 23, 2024
@marvinfriede marvinfriede deleted the libxc-names branch January 24, 2024 06:24
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2 participants