crystal.h File Reference

#include <occ/core/bondgraph.h>
#include <occ/core/dimer.h>
#include <occ/core/molecule.h>
#include <occ/crystal/asymmetric_unit.h>
#include <occ/crystal/hkl.h>
#include <occ/crystal/site_mapping_table.h>
#include <occ/crystal/spacegroup.h>
#include <occ/crystal/unitcell.h>
#include <vector>

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Classes
struct	occ::crystal::CrystalAtomRegion
	A class representing a region of atoms in a crystal lattice. More...
struct	occ::crystal::CrystalDimers
	A class representing the molecular dimers in a crystal lattice. More...
struct	occ::crystal::CrystalDimers::SymmetryRelatedDimer
class	occ::crystal::Crystal
	A class representing a crystal structure. More...
class	occ::crystal::Molecule
	Storage class for relevant information of a Molecule. More...

Namespaces
namespace	occ
namespace	occ::crystal
	functionality related to periodic crystal structures, space groups, symmetry operations

Typedefs
using	occ::crystal::IVec
using	occ::crystal::Mat3N
using	occ::crystal::PeriodicBondGraph