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This is an GUI python code to create the random defects on Kaolinite crystal structure. This program produce the defective CIF file which in turn opens the vesta app to show the defective units cell. And produce the lambs file to run the molecular dynamics simulations which can predict the properties of cement.
Suddhu018/Kaolinite_DEFECTS_IITM
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This is an GUI python code to create the random defects on Kaolinite crystal structure. This program produce the defective CIF file which in turn opens the vesta app to show the defective units cell. And produce the lambs file to run the molecular dynamics simulations which can predict the properties of cement.
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