util.cpp File Reference

#include "mpqc/chemistry/molecule/lattice/util.h"
#include <boost/numeric/conversion/cast.hpp>
#include "mpqc/chemistry/molecule/lattice/supercell.h"
#include "mpqc/util/core/exception.h"
#include "mpqc/util/misc/assert.h"

Include dependency graph for util.cpp:

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

Functions
int64_t	mpqc::detail::direct_ord_idx (Vector3i const &in_3D_idx, Vector3i const &lattice_max)
	This takes the 3D index of a direct lattice and returns the corresponding ordinal index. More...
int64_t	mpqc::detail::direct_ord_idx (int64_t x, int64_t y, int64_t z, Vector3i const &lattice_max)
	This takes the 3D index of a direct lattice and returns the corresponding ordinal index. More...
int64_t	mpqc::detail::k_ord_idx (Vector3i const &in_3D_idx, Vector3i const &nk)
	This takes the 3D index of a reciprocal lattice and returns the corresponding ordinal index. More...
int64_t	mpqc::detail::k_ord_idx (int64_t x, int64_t y, int64_t z, Vector3i const &nk)
	This takes the 3D index of a reciprocal lattice and returns the corresponding ordinal index. More...
Vector3i	mpqc::detail::direct_3D_idx (const int64_t ord_idx, Vector3i const &lattice_max)
	This takes the ordinal index of a direct lattice and returns the corresponding 3D index. More...
Vector3i	mpqc::detail::k_3D_idx (const int64_t ord_idx, Vector3i const &nk)
	This takes the ordinal index of a reciprocal lattice and returns the corresponding 3D index. More...
bool	mpqc::detail::is_in_lattice_range (Vector3i const &in_idx, Vector3i const &range, Vector3i const &center)
	This determines if a unit cell is included by the give lattice range. More...
Vector3d	mpqc::detail::lattice_vector (Vector3i const &n, const UnitCell &unitcell)
	This converts a point in a lattice and returns its coordinates in the lab frame. More...
Vector3d	mpqc::detail::lattice_vector (Supercell::Point const &pt, const UnitCell &unitcell)
	This converts a point in a lattice and returns its coordinates in the lab frame. More...
Vector3d	mpqc::detail::lattice_vector (Supercell::const_iterator const &supercell_iterator, const UnitCell &unitcell)
	This converts a point in a supercell of a lattice and returns its coordinates in the lab frame. More...
unsigned int	mpqc::detail::lattice_ndim (const Vector3i &lattice_range)