.. index:: pair: struct; forcefields::zhu_philpott_parameters::Iceland .. _doxid-structforcefields_1_1zhu__philpott__parameters_1_1_iceland: struct forcefields::zhu_philpott_parameters::Iceland ==================================================== .. toctree:: :hidden: :ref:`Iceland ` parameterisation. In this parameterisation, the Lennard-Jones interactions between platinum and water have been weakened to match the binding energy found by DFT calculation which is 0.3 eV for one molecule on a (100) surface. .. ref-code-block:: cpp :class: doxyrest-overview-code-block #include struct Iceland { // fields static double const :target:`sigmaO_` = 2.86; static double const :target:`epsilonO_` = 0.0023734176137013181; static double const :target:`sigmaH_` = 2.56; static double const :target:`epsilonH_` = 0.00087578073518673099; static double const :target:`C10_O_` = 1.28; static double const :target:`C10_H_` = 1.2; static double const :target:`alpha_` = 0.8; static double const :target:`sigmaHPt_` = 2.730249677569295; static double const :target:`sigmaOPt_` = 2.7735458150747108; static double const :target:`epsilonHPt_` = 0.0097305875238262573; static double const :target:`epsilonOPt_` = 0.020323980763749295; };