Computational Physics and Chemistry

Exercise 8: MC of a Lennard Jones System

You can download this Exercise in zip-format or in tar.gz-format.
The Exercise contains the following files:


In directory Source/

The Fortran subroutines:

adjust.f          ener.f         eneri.f         lattice.f
mcmove.f          mc_nvt.f       readdat.f       sample.f
store.f           toterg.f       writepdb.f

The C subroutines:

ran_uniform.c     sstmm.c

The include files

conf.inc          parameter.inc  potential.inc   system.inc

The makefile:

Makefile


In directory: Run/

lj.model   : defining type of Lennard-Jones interactions
lj.res     : contains end configuration and can be used to restart the
             simulation
run        : script to run the program (after compilation)

We make no warranties, express or implied, that the programs contained in this work are free of error, or that they will meet your requirements for any particular application. They should not be relied on for solving problems whose incorrect solution could result in injury, damage, or loss of property. The authors and publishers disclaim all liability for direct or consequential damages resulting from your use of the programs