Covering different modules including Forcefields, Energy Minimization Techniques and Molecular Dynamics.
Under Forcefield, the potential energy of glycine is handcalculated, but for plot generation (PE surface/curve) codes were written in the energy minimiztion module. (butane, ethane, water)
Rest of the codes corresponding to that module are for the bisection, secant, Newton-Raphson, Golden Section, and Steepest Descent (named accordingly).