#include "mpqc/chemistry/molecule/lattice/unit_cell.h"
#include <libint2/atom.h>
#include "mpqc/chemistry/molecule/atomic_data.h"
#include "mpqc/chemistry/molecule/clustering_functions.h"
#include "mpqc/chemistry/molecule/common.h"
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/chemistry/units/units.h"
#include "mpqc/util/core/exception.h"
#include "mpqc/util/core/formio.h"
#include "mpqc/util/keyval/forcelink.h"
#include "mpqc/util/misc/assert.h"

Include dependency graph for unit_cell.cpp:

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...

Namespaces

Functions