#include "mpqc/chemistry/qc/lcao/basis/fwd.h"
#include <memory>
#include <unordered_map>
#include "mpqc/chemistry/molecule/lattice/util.h"

Include dependency graph for util.h:

This graph shows which files directly or indirectly include this file:

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

	mpqc::lcao::gaussian

	mpqc::lcao::gaussian::detail

Typedefs
using	mpqc::lcao::gaussian::detail::func_offset_list = std::unordered_map< size_t, std::tuple< size_t, size_t > >

Functions
std::shared_ptr< const Basis >	mpqc::lcao::gaussian::detail::shift_basis_origin (const Basis &basis, const Vector3d &shift)
	This shifts the origin of a Basis object. More...

std::shared_ptr< const Basis >	mpqc::lcao::gaussian::detail::make_sublattice_basis (const Basis &basis, const std::vector< Vector3i > &sublattice, const UnitCell &unitcell, const Vector3d &offset=Vector3d::Zero())
	This makes a union of Basis objects for a subset of unit cells of a lattice. More...

std::shared_ptr< const Basis >	mpqc::lcao::gaussian::detail::make_supercell_basis (const Basis &basis, const Supercell &supercell, const UnitCell &unitcell, const Vector3d &offset=Vector3d::Zero(), const bool use_top_half=false)
	This creates a Basis for a supercell using the basis for its unit cell. More...

std::unordered_map< size_t, size_t >	mpqc::lcao::gaussian::detail::compute_shell_offset (const Basis &basis)
	This computes shell offsets for every cluster in a basis. More...

func_offset_list	mpqc::lcao::gaussian::detail::compute_func_offset_list (const ShellVec &cluster, const size_t bf_first)
	This computes cluster & basis function offsets for every shell in a cluster. More...

Namespaces

Typedefs