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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
The text was updated successfully, but these errors were encountered:
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.The text was updated successfully, but these errors were encountered: