|
273. A+BC: General Trajectory Program
by Sally Chapman, Don L. Bunker and Alan Gelb, Chemistry Department, University of California, Irvine, California 92664 This is a classical trajectory program for three-atom reactive (LEPS and HMF potentials) or unreactive (Morse-exponential orLennard-Jones) systems. Provision is made for the easy insertion of any other potential function. Starting conditions may be either specified or automatically sampled or a mixture of both. Potential energy may be mapped and final histograms may be prepared. FORTRAN IV Lines of Code: 1238 Recommended Citation: S. Chapman et al., QCPE 11, 273 (1975). |