madness::Molecule::apply_sigma Struct Reference

Public Member Functions
	apply_sigma (double xaxis, double yaxis, double zaxis)
void	operator() (double &x, double &y, double &z) const

Public Attributes
double	xaxis
double	yaxis
double	zaxis

Detailed Description

Apply to (x,y,z) a reflection through a plane containing the origin with normal (xaxis,yaxis,zaxis)

Constructor & Destructor Documentation

apply_sigma()

madness::Molecule::apply_sigma::apply_sigma ( double  xaxis, double  yaxis, double  zaxis  )

inline

Member Function Documentation

operator()()

void madness::Molecule::apply_sigma::operator() ( double &  x, double &  y, double &  z  ) const

inline

References madness::nonlinear_vector_solver(), xaxis, yaxis, and zaxis.

Member Data Documentation

xaxis

double madness::Molecule::apply_sigma::xaxis

Referenced by operator()().

yaxis

double madness::Molecule::apply_sigma::yaxis

Referenced by operator()().

zaxis

double madness::Molecule::apply_sigma::zaxis

Referenced by operator()().

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

• molecule.h