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
 

Detailed Description

order by occupation first, then by spin, then by symmetry, then by energy


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

Generated at Sat Feb 15 2025 01:13:28 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.