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Revise incar.py with two new classes *Param* and *Params*, still comp… - #14

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Revise incar.py with two new classes *Param* and *Params*, still comp…#14
hsulab wants to merge 5 commits into
PytLab:masterfrom
hsulab:extendable-incar

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@hsulab

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

Thomas Young Cluster RITS Do NOT reset passwordand others added 4 commits October 21, 2019 22:03
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Hi, thanks for your contribution. As I get an urgent issue to address recently, will review the change once the issue is resolved. :)

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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 FilesCoverage Δ
vaspy/incar.py15.92% <15.13%> (+2.16%)⬆️
vaspy/vasp_para_db.py100.00% <100.00%> (ø)
vaspy/__init__.py74.07% <0.00%> (-3.71%)⬇️

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