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{BACK:Modules} Geometry optimization. By default, the optimization is performed in input cartesian coordinates. Internal coordinates can be activated by keyword ::coordinates::. The coordinate transformation use a bit of linear algebra. When using internal coordinates for medium size and larger molecules, it is necessary to use [binary extension|Extensions] for algebra to achieve reasonable efficiency. !Keywords !!!Common keywords * ::geometry:: * ::point_charges:: * ::history_file:: * ::history_freq:: * ::restart_file:: * ::job_cleanup:: * ::maxcycles:: * ::hessian_estimate:: * ::hessian_from_file:: * ::hessian_force_positive:: * ::coordinates:: !!!Convergence * ::opt_quality:: * ::opt_convlimit_e:: * ::opt_convlimit_max_g:: * ::opt_convlimit_abs_g:: * ::opt_convlimit_rms_g:: * ::opt_convlimit_max_dx:: * ::opt_convlimit_abs_dx:: * ::opt_convlimit_rms_dx:: * ::opt_criteria_baker:: !!! Cartesian coordinates * ::algorithm:: * ::trust_radius:: * ::remove_translation:: * ::freeze_atoms:: * ::freeze_x:: * ::freeze_y:: * ::freeze_z:: * ::numerical_gradient:: !!! Internal coordinates * ::extra_redundant:: * ::delocalized_internal_coord::
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