sparse_pattern.h File Reference

#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	BEGIN_NAMESPACE(x)   namespace x {
#define	END_NAMESPACE(x)   }
Functions
void	setupShellMap (const BasisInfoStruct &bis, int *shellMap, int *aoMap)

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Define Documentation

#define BEGIN_NAMESPACE

(

x

)

namespace x {

#define END_NAMESPACE

(

x

)

}

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Function Documentation

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

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

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