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
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#include <chemistry/qc/mbptr12/orbitalspace.h>
List of all members.
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Public Member Functions |
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| MolecularOrbitalMask (unsigned int n, const AttributeContainer &attributes) |
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const std::vector< bool > & | mask () const |
Classes |
| struct | _compare |
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
The documentation for this struct was generated from the following file: