occ::opt::DihedralCoordinate Class Reference

#include <dihedral_coordinate.h>

Public Member Functions
	DihedralCoordinate (int i_in, int j_in, int k_in, int l_in)
double	operator() (const occ::Mat3N &coords) const
occ::Mat3N	gradient (const occ::Mat3N &coords) const
double	hessian (const occ::Mat &rho) const
double	weight (const occ::Mat &rho, const occ::Mat3N &coords) const

Public Attributes
int	i
int	j
int	k
int	l

Constructor & Destructor Documentation

DihedralCoordinate()

occ::opt::DihedralCoordinate::DihedralCoordinate	(	int	i_in,
		int	j_in,
		int	k_in,
		int	l_in
	)

Member Function Documentation

gradient()

occ::Mat3N occ::opt::DihedralCoordinate::gradient

(

const occ::Mat3N &

coords

)

const

hessian()

double occ::opt::DihedralCoordinate::hessian

(

const occ::Mat &

rho

)

const

operator()()

double occ::opt::DihedralCoordinate::operator()

(

const occ::Mat3N &

coords

)

const

weight()

double occ::opt::DihedralCoordinate::weight	(	const occ::Mat &	rho,
		const occ::Mat3N &	coords
	)		const

Member Data Documentation

i

int occ::opt::DihedralCoordinate::i

j

int occ::opt::DihedralCoordinate::j

k

int occ::opt::DihedralCoordinate::k

l

int occ::opt::DihedralCoordinate::l

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The documentation for this class was generated from the following file:

• /home/runner/work/occ/occ/include/occ/opt/dihedral_coordinate.h