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