 -- RPMD Example with the rudimentary PH2 code --

 * Files:
   consolidate.f: Takes all the individual velocity-velocity autocorrelation
      functions generated by vel_est.f and averages them into a final 
      file, by default mom_corr_tot.out
   Makefile: Makefile for the post-processing fortran code and automatically
      running the test directories.
   vel_est.f: Analyses one of the output trajectory files in order to 
      find the velocity-velocity autocorrelation function.

 * This takes the example from the paper Thomas F. Miller and David E. 
   Manolopoulos, J. Chem. Phys. 122, 184503, (2005), and does the RPMD example
   at the state point: (N, V, T) = (108, 31.7 cm**3 mol**(-1), 25 K).

 * For instructions on running this example, see the README file in the
   directory above.


** Postprocessing data:

 * Once all the trajectories in all the run_x directories have been completed, 
   there are a couple of fortran files which can be used to generate the 
   velocity-velocity autocorrelation function. These can be compiled using
   the Makefile provided in the RPMD directory.

 * First, vel_est.f analyses a particular output trajectory file to generate
   the estimate from one of the individual trajectories. It is run in the
   run_x directory, and takes as an argument the index of the file of interest.

 * Secondly, consolidate.f takes all the individual estimates and averages them
   to give a final estimate for the velocity-velocity autocorrelation function.

 * To make running these easier, one can just issue the make command:

$ make postproc

