ergo
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_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.

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

typedef ergo_real real

Variable Documentation

const real BraggRadii[]

vector of atoms' Bragg radii.

It is indexed by atomic number.

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

const unsigned BraggSize

Number of defined elements in BraggRadii array.

Referenced by BoxPartitioner::prepare().