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eonc::DimerRotationResult Struct Reference

Result of a non-classical dimer rotation backend (mode estimate only). More...

#include <DimerRotationDispatch.h>

Public Attributes

AtomMatrix eigenvector
double eigenvalue {0.0}
long forceCalls {0}
long rotations {0}
bool converged {true}
 LOR: true only when residual stop fired; Lanczos/Davidson: true (internal convergence criteria, not residual-exposed here).

Detailed Description

Result of a non-classical dimer rotation backend (mode estimate only).

Definition at line 30 of file DimerRotationDispatch.h.

Member Data Documentation

◆ converged

bool eonc::DimerRotationResult::converged {true}

LOR: true only when residual stop fired; Lanczos/Davidson: true (internal convergence criteria, not residual-exposed here).

Definition at line 37 of file DimerRotationDispatch.h.

37{true};

◆ eigenvalue

double eonc::DimerRotationResult::eigenvalue {0.0}

Definition at line 32 of file DimerRotationDispatch.h.

32{0.0};

◆ eigenvector

AtomMatrix eonc::DimerRotationResult::eigenvector

Definition at line 31 of file DimerRotationDispatch.h.

◆ forceCalls

long eonc::DimerRotationResult::forceCalls {0}

Definition at line 33 of file DimerRotationDispatch.h.

33{0};

◆ rotations

long eonc::DimerRotationResult::rotations {0}

Definition at line 34 of file DimerRotationDispatch.h.

34{0};
The documentation for this struct was generated from the following file: