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eonc::davidson_options_t Struct Reference

#include <ParametersOptions.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 470 of file ParametersOptions.h.

Member Data Documentation

◆ diagonal_preconditioner

bool eonc::davidson_options_t::diagonal_preconditioner {false}

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

Definition at line 475 of file ParametersOptions.h.

475{false};

◆ max_iterations

long eonc::davidson_options_t::max_iterations {20}

Definition at line 472 of file ParametersOptions.h.

472{20};

◆ phva_atoms

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

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

Definition at line 477 of file ParametersOptions.h.

477{"All"};

◆ tolerance

double eonc::davidson_options_t::tolerance {0.01}

Definition at line 471 of file ParametersOptions.h.

471{0.01};
The documentation for this struct was generated from the following file: