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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>
Include dependency graph for unitcell.h:
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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.