University of Sydney    School of Chemistry

  CHEM3Adv (From Planck's Constant to Experiment)

  Program Files:

In terms of answers to the dot points on the assignment. For most of these a sentence or so is sufficient. There are only a few questions that require a more considered answer and I would hope these would be relatively obvious (toward the end...)

I have spent hours trying to compile the trjectory program for Windows 7, it is not working for me, I can see from the web that I can build it within something like cygwin but unfortunately cygwin has to be installed on the Windows 7 machine and I can't just do it on my computer and copy it across. (The 2011 version of the fortran compiler I used also doesn't work on windows 7...)

So, for those of you so inclined I have put the fortran code below. It is archived into a single .tar file, so "unarchive" it to get the individual *.f files and *.inc files needed. The key file to compile is hnc.traj.f, eg > gfortran hnc.traj.f -o hnc.exe.

I have also included a few sample output files from the trajectory code as text files if this helps...

Fortran files

Sample Output Files

fortran files One trajectory
100 trajectores
200 trajectores


I have a pdf of my handwritten notes here.

I have a pdf of the assignment here.

The assignment is due 5pm Friday November 8 (or before!) to me: m.jordan@chem.usyd.edu.au