CamCASP/PFIT

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CamCASP => PFIT

PFIT : Purpose

  • Refining local polarizability models against point-to-point polarizabilities calculated with the FDDS (using CamCASP).
    • Local polarizabilty models only.
  • Assessing polarizability models against the point-to-point polarizabilities.
    • Local and non-local models.
  • Calculate molecular and distributed <math>C_6</math> coefficients.
    • Local and non-local models.
    • Now not so relevant (though may still be useful) as the CASIMIR program does this and more.
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