Fix Parsing Logic for LDOS Files in pp.x Output #1070
+9
−5
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Fix Parsing Logic for LDOS Files in
pp.x
OutputDescription
This PR addresses an issue with parsing files generated by
pp.x
when using Local Density of States (LDOS) ("plot_num" = 3
). Specifically,pp.x
can produce files with names such as:aiida.filplot001aiida.fileout
aiida.filplot002aiida.fileout
Fixes & Improvements
✅ Updated parsing logic to correctly handle
'aiida.filplot*aiida.fileout'
.✅ Ensured compatibility with existing orbital-related parsing logic to prevent conflicts.