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how to import a .xyz file #50

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dragonyanglong opened this issue Nov 27, 2024 · 1 comment
Open

how to import a .xyz file #50

dragonyanglong opened this issue Nov 27, 2024 · 1 comment

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@dragonyanglong
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dragonyanglong commented Nov 27, 2024 •
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Is your feature request related to a problem? Please describe.
I would like to input a .xyz file, and use your analysis tools to calculate RDF, Voronoi index etc. Can you please give me a short example code to do it?

Describe the solution you'd like
It seems like I need to convert it to lammps format, with cell info added, then pyscal can read it. I was using ASE for reading the .xyz file, I don't quite want to generate intermediate lammps system file in the hard drive.
@dragonyanglong
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@srmnitc Thanks for your support.

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@dragonyanglong