libmsym

Molecular point group symmetry library

libmsym is a C library dealing with point group symmetry in molecules. Features: * Determine, symmetrize and generate molecules of any point group as well determine/select subgroups. Get symmetrically equivalent elements and symmetrize translation of any any element in a molecule. * Generate character tables for any point group (complex characters form reducible representations) * Generate SALCs of real spherical harmonics with any angular momentum for point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh, I and Ih), as well as symmetrize orbitals, determine partner functions etc.