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Next: 3.20 MCKINLEY Up: 3. Tutorials Previous: 3.18 ALASKA


3.19 SLAPAF -- A Program for Geometry Optimizations and Transition States

Program SLAPAF is tailored to use the analytical gradients produced by ALASKA to relax the geometry of a molecule towards an energy minimum or a transition state. SLAPAF is also able to compute numerical hessians within the input symmetry. We postpone the discussion about SLAPAF to section 3.22.



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