VASPy
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Revise incar.py with two new classes *Param* and *Params*, still comp…
…atible with previous usage, and make INCAR writing simple and extendable with VASP INCAR Parameters DataBase (vasp_para_db.py).
Hi, thanks for your contribution. As I get an urgent issue to address recently, will review the change once the issue is resolved. :)
Codecov Report
Merging #14 into master will decrease coverage by
0.14%
. The diff coverage is17.44%
.
@@ 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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