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aiida-vasp / parsevasp

A general parser for VASP
MIT License
13 stars 13 forks source link

Added bugfixes to make sure GW vasprun can be read and added test #107

Closed espenfl closed 2 years ago

espenfl commented 2 years ago

Here we add corrections so that reading GW calcs works. Also added a test to make sure we can read a vasprun.xml from such a calculation properly.

codecov[bot] commented 2 years ago

Codecov Report

Merging #107 (3c291cb) into develop (35ad9c2) will increase coverage by 0.27%. The diff coverage is 100.00%.

@@             Coverage Diff             @@
##           develop     #107      +/-   ##
===========================================
+ Coverage    80.36%   80.62%   +0.27%     
===========================================
  Files           13       13              
  Lines         3390     3400      +10     
===========================================
+ Hits          2724     2741      +17     
+ Misses         666      659       -7
Impacted Files Coverage Δ
parsevasp/vasprun.py 83.86% <100.00%> (+0.57%) :arrow_up:

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