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Showing 2 open source projects for "formulation"

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    TIDES

    Taylor series Integrator for Differential Equations

    Taylor series Integrator for Differential EquationS. This software is developed by Profs. A. Abad, R. Barrio, F. Blesa and M. Rodriguez, (GME, University of Zaragoza, Spain). It consists on a C (Fortran) library, libTIDES, and a Mathematica package, MathTIDES. (MathTIDES requires Mathematica version >= 7.0) . Basic references: * A. Abad, R. Barrio, F. Blesa, M. Rodriguez, 2012. Algorithm 924: TIDES, a Taylor series Integrator for Differential EquationS, ACM TOMS. 39, no. 1, art. 5....
    Downloads: 1 This Week
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  • 2
    EPLF

    EPLF

    Electron Pair Localization Function

    The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)
    Downloads: 0 This Week
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