cctbx.geometry_restraints.lbfgs module¶
- class cctbx.geometry_restraints.lbfgs.lbfgs(sites_cart, geometry_restraints_manager, riding_h_manager=None, correct_special_position_tolerance=1.0, geometry_restraints_flags=None, lbfgs_termination_params=None, lbfgs_core_params=None, lbfgs_exception_handling_params=None, disable_asu_cache=False, sites_cart_selection=None, site_labels=None, states_collector=None)¶
Bases:
object- apply_shifts()¶
- compute_functional_and_gradients()¶
- compute_target(compute_gradients)¶