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Fix ValueError when parsing vasprun.xml with only some atom force constants #3092

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janosh
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@janosh janosh commented Jun 22, 2023

Closes #3084.

Thanks @esoteric-ephemera for pointing out the fix. 👍

… shape (3,3)

when parsing vasprun.xml with only some atom force constants
@janosh janosh added io Input/output functionality fix Bug fix PRs vasp Vienna Ab initio Simulation Package labels Jun 22, 2023
@janosh janosh linked an issue Jun 22, 2023 that may be closed by this pull request
@janosh janosh enabled auto-merge (squash) June 22, 2023 17:25
@janosh janosh merged commit 47af172 into master Jun 22, 2023
@janosh janosh deleted the fix-gh-3084-vasprun-incorrect-parsing-selective-dynamics branch June 22, 2023 17:40
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Incorrect parsing of vasprun.xml for certain selective dynamics runs
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