generate_subspace_matrix.hpp File Reference

Generate subspace-matrix in the auxiliary basis |phi> More...

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Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
template<typename T , typename F >
void	sirius::generate_subspace_matrix (Simulation_context &ctx__, int N__, int n__, int num_locked__, wf::Wave_functions< T > &phi__, wf::Wave_functions< T > &op_phi__, la::dmatrix< F > &mtrx__, la::dmatrix< F > *mtrx_old__=nullptr)
	Generate subspace matrix for the iterative diagonalization. More...

Detailed Description

Generate subspace-matrix in the auxiliary basis |phi>

Definition in file generate_subspace_matrix.hpp.