ergo
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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. More... | |
const unsigned | BraggSize |
Number of defined elements in BraggRadii array. More... | |
Implements shared parts of the grid generation code.
Examples include radial grids and code for determining active shells in given space.
typedef ergo_long_real long_real |
const real BraggRadii[] |
vector of atoms' Bragg radii.
It is indexed by atomic number.
Referenced by BoxPartitioner::prepare(), and RadialGrid::setAngularFixed().
const unsigned BraggSize |
Number of defined elements in BraggRadii array.
Referenced by BoxPartitioner::prepare().