mpqc::ci::SubspaceGrid Struct Reference

Grid of subspaces, represented as blocks of determinants defined by alpha/beta pair, along with sparsity information. More...

#include <mpqc/ci/subspace.hpp>

Public Member Functions
	SubspaceGrid ()
	Construct empty subspace grid.
	SubspaceGrid (const std::vector< Subspace< Alpha > > &A, const std::vector< Subspace< Beta > > &B, const mpqc::matrix< bool > &mask)
	Construct subspace grid from alpha and beta subspace vectors and sparsity matrix.
bool	allowed (int a, int b) const
	Returns whenever a subspace alpha/beta block is allowed.
const std::vector< Subspace< Alpha > > &	alpha () const
	Returns all alpha subspaces.
const std::vector< Subspace< Beta > > &	beta () const
	Returns all beta subspaces.
Subspace< Alpha >	alpha (int i) const
	Returns i-th alpha subspace.
Subspace< Beta >	beta (int i) const
	Returns i-th beta subspace.
size_t	dets () const
	Returns number of determinants in the grid.

Detailed Description

Grid of subspaces, represented as blocks of determinants defined by alpha/beta pair, along with sparsity information.

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

• src/lib/mpqc/ci/subspace.hpp