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aiidateam / aiida-wannier90

AiiDA plugin for the Wannier90 code
https://aiida-wannier90.readthedocs.io
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added generate_projections for List and Dict #116

Open louisponet opened 2 years ago

louisponet commented 2 years ago

This PR automatically checks whether the projections List input to the Wannier90Calculation has all dicts, and if so constructs the OrbitalData from the list using generate_projections. Similarly, it solves an inconsistency when a Dict was passed to the projections input, and again generates the OrbitalData.

codecov[bot] commented 2 years ago

Codecov Report

Merging #116 (e01a995) into develop (b9b0e38) will increase coverage by 0.10%. The diff coverage is 86.66%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #116      +/-   ##
===========================================
+ Coverage    76.01%   76.12%   +0.10%     
===========================================
  Files            9        9              
  Lines          834      846      +12     
===========================================
+ Hits           634      644      +10     
- Misses         200      202       +2
Impacted Files Coverage Δ
aiida_wannier90/io/_write_win.py 90.44% <86.66%> (-0.59%) :arrow_down:

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