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mcodev31 committed Oct 28, 2015
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# libmsym v0.2.0
libmsym is a C library dealing with point group symmetry in molecules.

# molecules
## molecules
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.

#character tables
## character tables
Generate character tables for any point group (complex characters form reducible representations)

#wave functions
## wave functions
Generate SALCs of real spherical harmonics for non icosahedral point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O and Oh) for any angular momentum, as well as symmetrize orbitals, determine partner functions etc.

# Notes
## notes

v0.1.0 is not compatible with v0.2.0

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