Crystal Fingerprinting and STM4 for USPEX output ... - Mario Valle
Crystal Fingerprinting and STM4 for USPEX output ... - Mario Valle
Crystal Fingerprinting and STM4 for USPEX output ... - Mario Valle
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A pseudo-diffraction like methodThis structure fingerprint issampled on X to provide thecoordinate values.The fingerprint is cut at a userdefined distance to provide100-400 coordinate values<strong>Crystal</strong>Fp, <strong>STM4</strong> & <strong>USPEX</strong> - <strong>Mario</strong> <strong>Valle</strong> - 04/08/2011Final fingerprint (per atom type pair)Compared to the previousfingerprinting method, thisone is sensitive to theordering of atoms in thestructure <strong>and</strong> does notdepend on the specificatomic species involved<strong>Crystal</strong>Fp, <strong>STM4</strong> & <strong>USPEX</strong> - <strong>Mario</strong> <strong>Valle</strong> - 04/08/201115
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