struct gpr::neb::ImageΒΆ

A single image on the NEB path.

#include <NEBPath.h>
 
struct Image {
    // fields
 
    Eigen::VectorXd positions;
    double energy = 0.0;
    Eigen::VectorXd gradient;
    bool is_endpoint = false;
    bool is_climbing = false;
    bool evaluated = false;
};