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Revise incar.py with two new classes *Param* and *Params*, still comp…

Open hsulab opened this issue 4 years ago • 2 comments

…atible with previous usage, and make INCAR writing simple and extendable with VASP INCAR Parameters DataBase (vasp_para_db.py).

hsulab avatar Oct 21 '19 21:10 hsulab

Hi, thanks for your contribution. As I get an urgent issue to address recently, will review the change once the issue is resolved. :)

PytLab avatar Oct 24 '19 09:10 PytLab

Codecov Report

Merging #14 into master will decrease coverage by 0.14%. The diff coverage is 17.44%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #14      +/-   ##
==========================================
- Coverage   21.73%   21.58%   -0.15%     
==========================================
  Files          21       22       +1     
  Lines        1537     1705     +168     
==========================================
+ Hits          334      368      +34     
- Misses       1203     1337     +134     
Impacted Files Coverage Δ
vaspy/incar.py 15.92% <15.13%> (+2.16%) :arrow_up:
vaspy/vasp_para_db.py 100.00% <100.00%> (ø)
vaspy/__init__.py 74.07% <0.00%> (-3.71%) :arrow_down:

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codecov-commenter avatar Jul 29 '20 21:07 codecov-commenter