voronoi_cap Struct Reference

#include <cap_types.h>

Public Member Functions
	voronoi_cap (double cutoff, std::vector< Atom > geometry)
std::vector< double >	operator() (std::vector< double > &x, std::vector< double > &y, std::vector< double > &z, std::vector< double > &grid_w)

Public Attributes
double	r_cut
std::vector< Atom >	atoms

Constructor & Destructor Documentation

voronoi_cap()

voronoi_cap::voronoi_cap	(	double	cutoff,
		std::vector< Atom >	geometry
	)

Member Function Documentation

operator()()

std::vector<double> voronoi_cap::operator()	(	std::vector< double > &	x,
		std::vector< double > &	y,
		std::vector< double > &	z,
		std::vector< double > &	grid_w
	)

Member Data Documentation

atoms

std::vector<Atom> voronoi_cap::atoms

r_cut

double voronoi_cap::r_cut

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

• /home/runner/work/opencap/opencap/opencap/include/cap_types.h