Class that can be used to store sparse matrix patterns. More...
#include <vector>
#include <stdio.h>
#include "basisinfo.h"
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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) |
Class that can be used to store sparse matrix patterns.
#define _DFT_SPARSE_PATTERN_H_ 1 |
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().