cubic_polynomial.hh File Reference

Functions to evaluate cubic polynomials and cubic polynomial derivatives. More...

#include <platform/types.hh>

Classes
struct	numeric::CubicPolynomial
struct	numeric::SplineParameters
	SplineParameters is a simple struct for holding the cubic spline polynomials used in the etable to interpolate the lennard-jones attractive and LK-solvation terms to zero smoothly. These splines have exactly two knots to represent them, and the same x values are used for all the knots: thus the only parameters needed are the y values at the knots, and the second-derivatives for the polynomials at knots. More...

Namespaces
	numeric
	Unit headers.

Functions
CubicPolynomial	numeric::cubic_polynomial_from_spline (platform::Real xlo, platform::Real xhi, SplineParameters const &sp)
	Compute cubic polynomial coefficients from a set of SplineParameters. More...
platform::Real	numeric::eval_cubic_polynomial (platform::Real const x, CubicPolynomial const &cp)
	Evaluate cubic polynomial at value x given polynomial coefficients. More...
platform::Real	numeric::cubic_polynomial_deriv (platform::Real const x, CubicPolynomial const &cp)
	Evaluate derivative of cubic polynomial given x and polynomial coefficients. More...

Detailed Description

Functions to evaluate cubic polynomials and cubic polynomial derivatives.

Author

Rebecca Alford (rfalf.nosp@m.ord1.nosp@m.2@gma.nosp@m.il.c.nosp@m.om)