grid_atomic.h File Reference

Implements shared parts of the grid generation code. More...

#include "realtype.h"
#include "matrix_typedefs.h"
#include "basisinfo.h"
#include "grid_interface.h"

Go to the source code of this file.

Classes
struct	RadialScheme
	RadialScheme describes the radial grid. More...
struct	RadialSchemeGC2
struct	RadialSchemeTurbo
struct	RadialSchemeLMG

Typedefs
typedef ergo_long_real	long_real

Variables
const real	BraggRadii []
	vector of atoms' Bragg radii.
const unsigned	BraggSize
	Number of defined elements in BraggRadii array.

Detailed Description

Implements shared parts of the grid generation code.

Examples include radial grids and code for determining active shells in given space.

Typedef Documentation

long_real

typedef ergo_long_real long_real

Variable Documentation

BraggRadii

const real BraggRadii[]

extern

vector of atoms' Bragg radii.

It is indexed by atomic number.

Referenced by BoxPartitioner::prepare(), and RadialGrid::setAngularFixed().

BraggSize

const unsigned BraggSize

extern

Number of defined elements in BraggRadii array.

Referenced by BoxPartitioner::prepare().