util.h File Reference
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Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::pbc
 import the gaussian::utility namespace into the pbc::gaussian namespace
 

Functions

template<typename TileZ , typename Tile , typename Policy >
TA::DistArray< TileZ, Policy > mpqc::lcao::pbc::transform_real2recip (const TA::DistArray< Tile, Policy > &matrix, Vector3d vec_k, const UnitCell &unitcell, const Supercell &supercell)
 
template<typename Tile , typename Policy , typename MatrixZ >
std::vector< std::pair< MatrixZ, MatrixZ > > mpqc::lcao::pbc::pseudoinverse_projection (std::vector< MatrixZ > const &C, std::pair< long, long > orbs, Vector3i K, const std::shared_ptr< pbc::gaussian::AOFactory< Tile, Policy >> &ao_factory)