unitcell.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/core/units.h>
#include <occ/core/util.h>
#include <occ/crystal/hkl.h>
#include <string>

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Classes
class	occ::crystal::UnitCell
	This class represents a unit cell of a crystal lattice. More...

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

Functions
UnitCell	occ::crystal::cubic_cell (double length)
	Construct a cubic unit cell from a given length.
UnitCell	occ::crystal::rhombohedral_cell (double length, double angle)
	Construct a rhombohedral unit cell from a given length and angle.
UnitCell	occ::crystal::tetragonal_cell (double a, double c)
	Construct a tetragonal unit cell from two given lengths.
UnitCell	occ::crystal::hexagonal_cell (double a, double c)
	Construct a hexagonal unit cell from two given lengths.
UnitCell	occ::crystal::orthorhombic_cell (double a, double b, double c)
	Construct an orthorhombic unit cell from three given lengths.
UnitCell	occ::crystal::monoclinic_cell (double a, double b, double c, double angle)
	Construct an orthorhombic unit cell from three given lengths and one angle.
UnitCell	occ::crystal::triclinic_cell (double a, double b, double c, double alpha, double beta, double gamma)
	Construct an orthorhombic unit cell from three given lengths and three angles.
template<typename T>
constexpr bool	occ::crystal::is_close (T a, T b, const T rtol=Eigen::NumTraits< T >::dummy_precision(), const T atol=Eigen::NumTraits< T >::epsilon())