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Popular repositories

  1. rho2_ops rho2_ops Public

    Given the 2-RDM matrix in primitives and the gaussian primitives basis, RHO2_OPS can compute Intracule, Extracule, and Total Position Spread.

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    Reading FCHK, WFN, and WFX files and computing properties.

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    Normal ordering and operations related to creation and annihilation operators

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