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Add damping parameters for PBEsol, AM05, MN12sx#132

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awvwgk merged 4 commits intodftd4:mainfrom
awvwgk:new-param
Oct 21, 2021
Merged

Add damping parameters for PBEsol, AM05, MN12sx#132
awvwgk merged 4 commits intodftd4:mainfrom
awvwgk:new-param

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@awvwgk awvwgk commented Oct 21, 2021

Closes #129

@awvwgk awvwgk added the parameters Damping parameters for D4 methods label Oct 21, 2021
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codecov bot commented Oct 21, 2021

Codecov Report

Merging #132 (708e0bf) into main (be0a98b) will increase coverage by 0.02%.
The diff coverage is 25.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #132      +/-   ##
==========================================
+ Coverage   59.20%   59.22%   +0.02%     
==========================================
  Files          40       40              
  Lines        2949     2953       +4     
  Branches      995      998       +3     
==========================================
+ Hits         1746     1749       +3     
+ Misses        642      640       -2     
- Partials      561      564       +3     
Impacted Files Coverage Δ
test/unit/test_param.f90 52.38% <ø> (ø)
src/dftd4/param.f90 37.14% <25.00%> (+0.54%) ⬆️

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@awvwgk awvwgk merged commit 1692853 into dftd4:main Oct 21, 2021
@awvwgk awvwgk deleted the new-param branch October 21, 2021 14:33
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Parameterization for PBEsol

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