Shape function for SCCS models [1]. More...
Functions | |
void | compute (const ScalarField &n, ScalarField &shape, double rhoMin, double rhoMax, double epsBulk) |
Compute the shape function (0 to 1) given the cavity-determining electron density. | |
void | propagateGradient (const ScalarField &n, const ScalarField &E_shape, ScalarField &E_n, double rhoMin, double rhoMax, double epsBulk) |
Propagate gradient w.r.t shape function to that w.r.t cavity-determining electron density (accumulate to E_n) | |
Shape function for SCCS models [1].