#include <iosfwd>
#include <vector>
#include <mpqc/math/external/eigen/eigen.h>
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/mpqc_config.h"
#include "mpqc/util/keyval/keyval.h"

Include dependency graph for unit_cell.h:

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

Classes
class	mpqc::UnitCell

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

Functions
std::ostream &	mpqc::operator<< (std::ostream &, UnitCell const &)
	print UnitCell to a std::ostream More...

std::shared_ptr< UnitCell >	mpqc::to_reciprocal (const std::shared_ptr< const UnitCell > &unitcell)
	computes the unit cell of the reciprocal lattice More...

std::shared_ptr< UnitCell >	mpqc::to_monkhorstpack_fbz_mesh (const std::shared_ptr< const UnitCell > &rcell, const Vector3i &mesh_size)
	computes the unit cell of the Monkhorst-Pack mesh for the first Brllouin zone of the reciprocal lattice More...

Classes

Namespaces

Functions