std::vector< int > map(const GaussianBasisSet &B, const GaussianBasisSet &A)
same as operator<<, except A does not have to be contained in B, map[a] = -1 if function a is not in ...
std::vector< unsigned int > index_map_inverse(const std::vector< unsigned int > &map)
inverts an (isomorphic) index map that maps [0,n) onto itself
std::vector< unsigned int > index_map_symmtocorrorder(const std::vector< unsigned int > &class1, const std::vector< unsigned int > &class2, const std::vector< unsigned int > &class3, const std::vector< unsigned int > &class4, const std::vector< unsigned int > &class5)
Returns map from symmetry-blocked orbitals to correlated-order orbitals.