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
Defines
#define	_GRID_ATOMIC_H_   1
Typedefs
typedef ergo_real	real
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.

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Detailed Description

Implements shared parts of the grid generation code.

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

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Define Documentation

#define _GRID_ATOMIC_H_   1

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Typedef Documentation

typedef ergo_long_real long_real

typedef ergo_real real

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Variable Documentation

const real BraggRadii[]

vector of atoms' Bragg radii.

It is indexed by atomic number.

const unsigned BraggSize

Number of defined elements in BraggRadii array.

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