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- 6/2/04: Our final exam slot is Monday, June 7, 2004, from 10:30-12:30 in LeBow 134.
- 5/25/04:
The code wl-w.c
(Wang-Landau and
NVT MC of the Potts model) is available for download.
- 5/25/04:
The code mdlj_lan.c
(MD
simulation of the Lennard-Jones liquid using the Langevin thermostat)
is available for download.
- 5/17/04: The code mclj_ti.c
(NVT MC simulation of the Lennard-Jones liquid with the
-modified
potential for computing 
via thermodynamic integration)
is now available for download.
- 5/13/04: The code mclj_widom.c
(NVT MC
simulation of the Lennard-Jones liquid with the Widom test particle
insertion method for computing ) is available for
download.
- 5/12/04:
The code mdlj_berp.c
(MD
simulation of the Lennard-Jones liquid using the Berendsen barostat)
is available for download.
- 5/10/04:
The code mdswsi.c
(MD simulation of
Stillinger-Weber silicon) is available for download.
- 5/9/04:
The code mdlj_nhc.c
(MD
simulation of the Lennard-Jones liquid using a 2-element Nosé-Hoover
chain thermostat) is available for download.
- 5/5/04:
The code mdlj_dpd.c
(MD
simulation of the Lennard-Jones liquid using the Dissipative Particle
Dynamics thermostat) is available for download.
- 5/4/04: The codes mdlj_ber.c
(MD
simulation of the Lennard-Jones liquid using the Berendsen thermostat)
and mdlj_and.c
(MD simulation of
the LJ liquid using the Andersen thermostat) are available for
download.
- 5/3/04: The code mclj_npt.c,
NPT MC simulation of the Lennard-Jones fluid, is available for download.
- 4/30/04: A syllabus
is now available, and a link appears below.
- 4/27/04: The codes msd.c
(computation
of mean-squared displacement) and vacf.c
(computation of velocity autocorrelation function) are
available for download.
- 4/27/04: The code mdlj.c
has been
updated to output optionally unfolded coordinates for proper computation
of mean-squared displacement. Re-download today!
- 4/25/04: The post-processing code rdf.c,
radial distribution function calculation, is now available for download.
- 4/22/04: The code mdlj.c, NVE MD of
a Lennard-Jones fluid, is available for download.
- 4/16/04: The code mclj.c, NVT Metropolis
MC of a Lennard-Jones fluid, is available for download.
- 4/12/04: Corrected versions of hdisk.c
and hdb.c
are now available for download.
- 3/31/04: Check out the GNU Scientific Library (GSL)! In addition
to some high-quality pseudorandom number generators, it has a large
number of other utilities for scientific computing. Instructions to
download, compile, and install GSL under Cygwin appear in
Sec.
![[*]](crossref.png)
.
Next: Introduction
Up: CHE 800-002: Molecular Simulation
Previous: CHE 800-002: Molecular Simulation
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