Namespaces
	coulomb

	count_pair

	etrie

Classes
class	AnalyticEtableEnergy

class	AnalyticEtableEvaluator

struct	AtomPairEnergy

class	BaseEtableEnergy

class	BB_BB_EnergyInvoker

class	CoarseEtableEnergy

class	CoarseEtableEnergyCreator

struct	CubicPolynomial

class	Etable
	Class definition for Etable. More...

class	EtableEnergyCreator

class	EtableEvaluator

class	EtableOptions

struct	EtableParamsOnePair
	EtableParamsOnePair describes all of the parameters for a particular pair of atom types necessary to evaluate the Lennard-Jones and LK solvation energies. More...

struct	ExtraQuadraticRepulsion
	the ExtraQuadraticRepulsion class is used to add in extra repulsion for particular atom pairs, if needed, (e.g. for OCbb/OCbb) where the functional form is: fa_rep += (xhi - x)^2 * slope for values of x between xlo and xhi, and fa_rep += (x - xlo ) * extrapolated_slope + ylo where extrapolated slope can be anything, but, to defined a function with continuous derivatives, should be extrapolated_slope = (xhi-xlo)^2*slope. This is the analytical implementation of the "modify_pot" behavior. More...

class	MembEtable
	jk Class definition for Etable More...

class	ResResEnergyInvoker

class	SC_BB_EnergyInvoker

class	SC_SC_EnergyInvoker

class	SC_Whole_EnergyInvoker

struct	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...

class	TableLookupEtableEnergy

class	TableLookupEvaluator

class	WholeWholeEnergyInvoker

Typedefs
typedef utility::pointer::owning_ptr < Etable >	EtableOP

typedef utility::pointer::owning_ptr < Etable const >	EtableCOP

typedef utility::pointer::access_ptr < Etable const >	EtableCAP

typedef utility::pointer::owning_ptr < EtableEvaluator >	EtableEvaluatorOP

typedef utility::pointer::owning_ptr < EtableEvaluator const >	EtableEvaluatorCOP

typedef utility::pointer::access_ptr < EtableEvaluator const >	EtableEvaluatorCAP

typedef utility::pointer::owning_ptr < AnalyticEtableEvaluator >	AnalyticEtableEvaluatorOP

typedef utility::pointer::owning_ptr < EtableOptions >	EtableOptionsOP

typedef utility::pointer::owning_ptr < EtableOptions const >	EtableOptionsCOP

typedef utility::pointer::owning_ptr < MembEtable >	MembEtableOP

typedef utility::pointer::access_ptr < MembEtable const >	MembEtableCAP