CamCASP/PFIT: Difference between revisions
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Revision as of 18:39, 22 September 2010
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.