eonc::Parameters::davidson_options_t Struct Reference

#include <Parameters.h>

Public Attributes
double	tolerance {0.01}
long	max_iterations {20}
bool	diagonal_preconditioner {false}
	Heuristic | (H v)_i / v_i | preconditioner (not true diag(H); off by default).
std::string	phva_atoms {"All"}
	PHVA mobile/active set for the Ritz space; "All" = all free atoms.

Detailed Description

Definition at line 426 of file Parameters.h.

Member Data Documentation

diagonal_preconditioner

bool eonc::Parameters::davidson_options_t::diagonal_preconditioner {false}

Heuristic | (H v)_i / v_i | preconditioner (not true diag(H); off by default).

Definition at line 431 of file Parameters.h.

{false};

max_iterations

long eonc::Parameters::davidson_options_t::max_iterations {20}

Definition at line 428 of file Parameters.h.

{20};

phva_atoms

std::string eonc::Parameters::davidson_options_t::phva_atoms {"All"}

PHVA mobile/active set for the Ritz space; "All" = all free atoms.

Definition at line 433 of file Parameters.h.

{"All"};

tolerance

double eonc::Parameters::davidson_options_t::tolerance {0.01}

Definition at line 427 of file Parameters.h.

{0.01};

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

• /home/runner/work/eOn/eOn/include/eon/Parameters.h