sc::MolecularOrbitalMask< Attribute, AttributeContainer, Compare > Struct Template Reference

mask out first n MOs in the order defined by Compare. By default mask the n lowest-energy MOs More...

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

Public Member Functions
	MolecularOrbitalMask (unsigned int n, const AttributeContainer &attributes)
const std::vector< bool > &	mask () const
bool	operator[] (size_t o) const

Detailed Description

template<typename Attribute, typename AttributeContainer, typename Compare = std::less<Attribute>>
struct sc::MolecularOrbitalMask< Attribute, AttributeContainer, Compare >

mask out first n MOs in the order defined by Compare. By default mask the n lowest-energy MOs

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

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