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docs on complexes + periodic image
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jmmshn committed Dec 12, 2023
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"- One where the two parts of the defect complex are nearest neighbors (`def_comp0`).\n",
"- One where the two defects are next-nearest neighbors (`def_comp2`).\n",
"\n",
"Since our defect complex definition accounts for an effective _Center of Mass_ site, we can properly account for periodic boundary conditions. the two defect complexes will be considered not equal."
"Since our defect complex definition accounts for an effective _Center of Mass_ site, we can properly account for periodic boundary conditions. the two defect complexes will be considered not equal.\n",
"For complexes, we recommend checking the structure with the center of mass (`defect_structure_with_com`) to make sure you understand exactly what will be simulated in the supercell."
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