|GaussianBasisSetMap (const Ref< GaussianBasisSet > &Source, const Ref< GaussianBasisSet > &Target)|
|will throw if Source is not contained in Target |
|const Ref< GaussianBasisSet > &||source () const|
|const Ref< GaussianBasisSet > &||target () const|
|int||map_shell (int s) const|
|maps shell s in Source to its location in Target |
|int||map_function (int f) const|
|maps function f in Source to its location in Target |
|int||nfblock () const|
|it is useful to organize sets of basis functions that are adjacent in Source and in Target. |
|int||fblock_to_function (int b) const|
|returns the Source index of the first basis function in fblock b |
|int||fblock_size (int b) const|
|the number of basis functions in fblock b |
Can only be constructed if the original basis set is a subset of the target basis set.
it is useful to organize sets of basis functions that are adjacent in Source and in Target.
These sets will be termed fblocks. Thus each fblock is has size of at least 1 and there is at least 1 fblock. This returns the number of fblocks.