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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Structure “coordinates”Set of distances<strong>for</strong> each atomin the unit cellaggDistance setsconcatenated <strong>for</strong> allatoms in the structure(coordinate)Structure “fingerprint” <strong>Crystal</strong>FpSet of distances<strong>for</strong> each atomin the unit cellaggDistance setsconcatenated <strong>for</strong> allatoms in the structure(coordinate)10