![]() Multicolor mesh support is included for 3MF model output, but be aware many programs may not be able to read or support such data.The result is a smoother descent toward a minimum than you would get using conjugate gradients or BFGS. This gives it a slight added push downwards and compensates for the inherent inaccuracies in any discrete process. Unlike a naive steepest descent approach where the momentum would be changed only by adding in the current force vector, in this method, the momentum is first steered partially toward the new downward direction before adding in the force. Instead, it moves in successive small time steps, tracking the momentum of each particle as it slides to a lower energy state. The FIRE optimizer differs from the other optimization methods described here in that it does not employ a line search. A new optimizer for the molecular modeling engine is implemented, FIRE (Fast Inertial Relaxation Engine).New bond order perception algorithms are now available, including "All Single", Antechamber and Auto-UFF. menu item or opening a file with no bond information. Bond deduction has been significantly improved, allowing options for enforcing maximum valencies and changing the bond distance tolerance when using the Molecule>Deduce Covalent Bonds. ![]() menu item, choose the mapping algorithm, whether to overlap the structures, or allow inversions.
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