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aiida-vasp / parsevasp

A general parser for VASP
MIT License
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Replaced bands data container names with eigenvalues #99

Closed espenfl closed 2 years ago

espenfl commented 2 years ago

We replace the bands terminology unless we explicitly describe the concatenation of eigenvalues across several k-points, e.g. num_bands as num_eigenvalues would potentially be a bit misleading as it typically can also run over several k-points. Hence, some of the bands terminology is kept, but not for the data containers themselves.

codecov[bot] commented 2 years ago

Codecov Report

Merging #99 (9d8f5b1) into develop (7b39b99) will not change coverage. The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff            @@
##           develop      #99   +/-   ##
========================================
  Coverage    80.32%   80.32%           
========================================
  Files           13       13           
  Lines         3378     3378           
========================================
  Hits          2713     2713           
  Misses         665      665
Impacted Files Coverage Δ
parsevasp/eigenval.py 91.43% <100.00%> (ø)

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