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atoms() not defined #212

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xamberl opened this issue Feb 5, 2024 · 1 comment
Closed

atoms() not defined #212

xamberl opened this issue Feb 5, 2024 · 1 comment
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@xamberl
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xamberl commented Feb 5, 2024

I'm trying to print a .xyz file for a crystal. After using this snippet of code, open(io -> writeXYZ(io, xcrystal), filename, write=true), I get this error.

ERROR: UndefVarError: atoms not defined
Stacktrace:
 [1] writeXYZ(io::IOStream, data::Crystal{3})
   @ Electrum ~/.julia/packages/Electrum/4WaPX/src/filetypes.jl:52
@brainandforce
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Fixed in the newest release version (0.1.18) which is being registered at the moment

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