I am trying to find all atoms of type A in a VASP POSCAR and then randomly add "n" atoms of type B in a sphere of radius ("r") centered at each site of type A atom using pymatgen and return each time a new POSCAR.
add atoms randomly around an atom in vasp poscar using pymatgen
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This isn't currently a pre-built transformation in pymatgen. You could script it yourself, by creating a new
PeriodicSite, changing its position to a random vector using numpy, and appending it to theStructure.