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eonc::neb::ExtremaResult Struct Reference

#include <NEBSplineExtrema.h>

Public Attributes

long numExtrema {0}
std::vector< double > positions
std::vector< double > energies
std::vector< double > curvatures

Detailed Description

Definition at line 28 of file NEBSplineExtrema.h.

Member Data Documentation

◆ curvatures

std::vector<double> eonc::neb::ExtremaResult::curvatures

Definition at line 32 of file NEBSplineExtrema.h.

◆ energies

std::vector<double> eonc::neb::ExtremaResult::energies

Definition at line 31 of file NEBSplineExtrema.h.

◆ numExtrema

long eonc::neb::ExtremaResult::numExtrema {0}

Definition at line 29 of file NEBSplineExtrema.h.

29{0};

◆ positions

std::vector<double> eonc::neb::ExtremaResult::positions

Definition at line 30 of file NEBSplineExtrema.h.

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