Initial Polarization Process
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@@ -34,6 +34,9 @@ class Crystal:
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else:
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self.cells.append(cell)
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def get_number_of_charges(self):
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return len(self.cells[0][0])
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def _is_valid_cell(self, cell: List[Molecule]) -> bool:
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if len(cell) == len(self.structure):
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for i, molecule in enumerate(cell):
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