Robuta

https://www-wales.ch.cam.ac.uk/examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs/?C=S;O=A Index of /examples/OPTIM/LJ38/standard_examples/transition_states_and_pathways/bfgsts.nohess.lbfgs