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readPOSCAR does not handle Cartesian POSCARS #183

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xamberl opened this issue Sep 18, 2023 · 0 comments · Fixed by #184
Closed

readPOSCAR does not handle Cartesian POSCARS #183

xamberl opened this issue Sep 18, 2023 · 0 comments · Fixed by #184
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xamberl commented Sep 18, 2023 •
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https://github.com/brainandforce/Electrum.jl/blob/43062b9faee97ca9a83c5850815d84a153b0c043/src/software/vasp.jl#L60C50-L60C50

It appears that only POSCARs with Fractional coordinates are supported. Handling of Cartesian coordinates (or at least a warning) would expand functionality.
@xamberl xamberl added bug Something isn't working feature request New feature or request labels Sep 18, 2023
@brainandforce brainandforce self-assigned this Sep 20, 2023
@brainandforce brainandforce linked a pull request Oct 11, 2023 that will close this issue
Support for POSCARs with Cartesian coordinates #184
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Support for POSCARs with Cartesian coordinates brainandforce/Electrum.jl
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