MPQC
3.0.0-alpha
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order by occupation first, then by spin, then by symmetry, then by energy More...
#include <chemistry/qc/wfn/orbitalspace.h>
Public Member Functions | |
CorrelatedSpinMOOrder (unsigned int nirreps) | |
bool | operator() (const MolecularSpinOrbital &o1, const MolecularSpinOrbital &o2) const |
unsigned int | block (const MolecularSpinOrbital &o) const |
unsigned int | nblocks () const |
order by occupation first, then by spin, then by symmetry, then by energy