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point_group.h File Reference
Include dependency graph for point_group.h:
This graph shows which files directly or indirectly include this file:

Classes

struct  occ::core::SymOp
 Structure/utility class for a point group symmetry operation. More...
 
class  occ::core::MolecularPointGroup
 Storage class for a point group describing a Molecule. More...
 

Namespaces

namespace  occ
 
namespace  occ::core
 fundamental functionality for linear algebra, utilities, molecules and more
 

Enumerations

enum class  occ::core::PointGroup {
  occ::core::C1 , occ::core::Ci , occ::core::Cs , occ::core::C2 ,
  occ::core::C3 , occ::core::C4 , occ::core::C5 , occ::core::C6 ,
  occ::core::C8 , occ::core::Coov , occ::core::Dooh , occ::core::C2v ,
  occ::core::C3v , occ::core::C4v , occ::core::C5v , occ::core::C6v ,
  occ::core::C2h , occ::core::C3h , occ::core::C4h , occ::core::C5h ,
  occ::core::C6h , occ::core::D2 , occ::core::D3 , occ::core::D4 ,
  occ::core::D5 , occ::core::D6 , occ::core::D7 , occ::core::D8 ,
  occ::core::D2h , occ::core::D3h , occ::core::D4h , occ::core::D5h ,
  occ::core::D6h , occ::core::D7h , occ::core::D8h , occ::core::D2d ,
  occ::core::D3d , occ::core::D4d , occ::core::D5d , occ::core::D6d ,
  occ::core::D7d , occ::core::D8d , occ::core::S4 , occ::core::S6 ,
  occ::core::S8 , occ::core::T , occ::core::Td , occ::core::Th ,
  occ::core::O , occ::core::Oh , occ::core::I , occ::core::Ih
}
 
enum class  occ::core::MirrorType { occ::core::None , occ::core::H , occ::core::D , occ::core::V }
 

Functions

PointGroup occ::core::dihedral_group (int, MirrorType)
 
PointGroup occ::core::cyclic_group (int, MirrorType)