sc::SymmetryMOOrder Struct Reference

order by symmetry first, then by energy, then by occ num More...

#include <chemistry/qc/wfn/orbitalspace.h>

Public Member Functions
	SymmetryMOOrder (unsigned int nirreps)
bool	operator() (const MolecularOrbital &o1, const MolecularOrbital &o2) const
unsigned int	block (const MolecularOrbital &o) const
unsigned int	nblocks () const

Detailed Description

order by symmetry first, then by energy, then by occ num

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The documentation for this struct was generated from the following file:

• src/lib/chemistry/qc/wfn/orbitalspace.h