sc::EnergyMOOrder< EnergyCompare > Struct Template Reference

order by energy first, then by symmetry. EnergyCompare specifies the weak strict ordering of orbitals wrt energy More...

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

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

Detailed Description

template<typename EnergyCompare = std::less<double>>
struct sc::EnergyMOOrder< EnergyCompare >

order by energy first, then by symmetry. EnergyCompare specifies the weak strict ordering of orbitals wrt energy

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

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