source/dft/sparse_pattern.h File Reference

Class that can be used to store sparse matrix patterns. More...

#include <vector>
#include <stdio.h>
#include "basisinfo.h"

Go to the source code of this file.

Classes
class	SparsePattern
	A way to store sparse matrix patterns. More...
struct	SparsePattern::Interval
	ranges are upper-exclusive: involve i: lo <= i < hi. More...
struct	SparsePattern::Column
struct	SparsePattern::Column::Iterator
Defines
#define	_DFT_SPARSE_PATTERN_H_   1
Functions
void	setupShellMap (const BasisInfoStruct &bis, int *shellMap, int *aoMap)

---

Detailed Description

Class that can be used to store sparse matrix patterns.

Author:

: Pawel Salek responsible

---

Define Documentation

#define _DFT_SPARSE_PATTERN_H_   1

---

Function Documentation

void setupShellMap	(	const BasisInfoStruct &	bis,
		int *	shellMap,
		int *	aoMap
	)

References ShellSpecStruct::centerCoords, clusterShells(), Box::hi, Box::lo, BasisInfoStruct::noOfShells, prepareAOMap(), and BasisInfoStruct::shellList.

Referenced by grid_test_scaling(), and XCEvaluator::XCEvaluator().