Finite-difference curvature

job = finite_difference reads pos.con. It picks the least-coordinated atom and displaces that atom together with its neighbors inside [Structure Comparison] neighbor_cutoff. A frozen coordinate is left out of the displacement and out of its norm. The client writes curvature.dat, with columns dR and curvature, and results.dat. The displacements use step sizes 1e-7, 1e-6, 1e-5, 1e-4, 1e-3, 5e-3, 0.01, 0.05, and 0.1. This scan is not the Hessian fd_scheme, and [Main] finite_difference does not set these steps. The schema spelling finite_differences does not select this job.

[Main]
job = finite_difference