Psi4
Enumerations | Functions
psi::PointGroups Namespace Reference

Enumerations

enum  Groups {
  C1 = SymmOps::E, Ci = SymmOps::E | SymmOps::i, C2X = SymmOps::E | SymmOps::C2_x, C2Y = SymmOps::E | SymmOps::C2_y,
  C2Z = SymmOps::E | SymmOps::C2_z, CsZ = SymmOps::E | SymmOps::Sigma_xy, CsY = SymmOps::E | SymmOps::Sigma_xz, CsX = SymmOps::E | SymmOps::Sigma_yz,
  D2 = SymmOps::E | SymmOps::C2_x | SymmOps::C2_y | SymmOps::C2_z, C2vX = SymmOps::E | SymmOps::C2_x | SymmOps::Sigma_xy | SymmOps::Sigma_xz, C2vY = SymmOps::E | SymmOps::C2_y | SymmOps::Sigma_xy | SymmOps::Sigma_yz, C2vZ = SymmOps::E | SymmOps::C2_z | SymmOps::Sigma_xz | SymmOps::Sigma_yz,
  C2hX = SymmOps::E | SymmOps::C2_x | SymmOps::Sigma_yz | SymmOps::i, C2hY = SymmOps::E | SymmOps::C2_y | SymmOps::Sigma_xz | SymmOps::i, C2hZ = SymmOps::E | SymmOps::C2_z | SymmOps::Sigma_xy | SymmOps::i, D2h
}
 

Functions

void similar (unsigned char bits, unsigned char *sim, char &cnt)
 

Enumeration Type Documentation

Enumerator
C1 
Ci 
C2X 
C2Y 
C2Z 
CsZ 
CsY 
CsX 
D2 
C2vX 
C2vY 
C2vZ 
C2hX 
C2hY 
C2hZ 
D2h 

Function Documentation

void psi::PointGroups::similar ( unsigned char  bits,
unsigned char *  sim,
char &  cnt 
)