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Structure file conversion scripts #5

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Altoidnerd opened this issue Nov 23, 2015 · 0 comments
Open

Structure file conversion scripts #5

Altoidnerd opened this issue Nov 23, 2015 · 0 comments

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@Altoidnerd
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Looking through your code, I have a few questions:

  • Do *.cell and *.magres encode the same information?
  • Standard structure files I am aware of are xyz, cif, mol, xsf, etc - do you have scripts to convert these typical structural files to castep compatible ones?
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