HF::EpsIts

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Convergence results of for each self-consistent-field solve.

Holds the output of solving for an orbital (core or valence) via an iterative HF-like method: the convergence metric, iteration count, and orbital identification symbol for reporting.

Parameters

eps	Convergence metric: relative change in orbital norm, or similar, from the previous iteration.
its	Number of iterations performed.
symbol	Orbital identification (e.g. "2p-", "1s+") for labelling output tables.

#include <HartreeFock.hpp>

Public Attributes
double	eps {0.0}
int	its {0}
std::string	symbol {}

Friends
bool	operator< (const EpsIts &l, const EpsIts &r)

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

• HF/HartreeFock.hpp