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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?
The text was updated successfully, but these errors were encountered:
Looking through your code, I have a few questions:
The text was updated successfully, but these errors were encountered: