Proposed updates to fix the outdated parts in the code#1
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ydanuiuc wants to merge 3 commits intoTrinkleGroup:masterfrom
Open
Proposed updates to fix the outdated parts in the code#1ydanuiuc wants to merge 3 commits intoTrinkleGroup:masterfrom
ydanuiuc wants to merge 3 commits intoTrinkleGroup:masterfrom
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This proposed update tries to fix the follow two issues:
chgcar.Hwill check if such line exists and will skip it if necessary, adapting the Bader Integration code to work with both old and new CHGCAR formats.