Adding QE support to doped. #133

Draft

Walser52 wants to merge 11 commits into

SMTG-Bham:developfrom

Commits on Feb 14, 2026

espresso classes

Walser52
authored and
kavanase
committed
DefectsParserEspresso

Walser52
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kavanase
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Espresso functionality added

Walser52
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kavanase
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QE functionality added

Walser52
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kavanase
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QE

Walser52
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kavanase
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Deleted example

Walser52
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kavanase
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code diff

Walser52
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kavanase
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clean qehacks

Walser52
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kavanase
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recovered

Walser52
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kavanase
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chemical potential

Walser52
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kavanase
committed
Some cleanup
kavanase
committed