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User's Guide - CALYPSO

User's Guide - CALYPSO

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It was originally designed to predict 3-dimensional (3D) “crystal structures”. Now, CALYPSO has a more generalized meaning of “structure” prediction, able to deal with structures ranging from 0D to 1D, 2D, and 3D. “CALYPSO” (with all capitalized letters) is the only name in the field of structure prediction.

  Guide, Structure, Deal, To deal

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