qiskit.chemistry.algorithms.pes_samplers.EnergySurface1DSpline.get_equilibrium_geometry¶
-
EnergySurface1DSpline.
get_equilibrium_geometry
(scaling=1.0)[source]¶ Returns the geometry for the minimal energy (scaled by ‘scaling’) Default units (scaling=1.0) are Angstroms. Scale by 1E-10 to get meters. :type scaling:
float
:param scaling: scaling factor- Return type
float
- Returns
equilibrium geometry