oopse-3.0.1 released

[Dan Gezelter]

We are pleased to announce the release of OOPSE version 3.0.1.
This version is a nearly complete rewrite of the OOPSE and
includes many new features.

Here are just some of the changes:

   1) New potentials have been added.  The Sutton-Chen potential
      for joins the EAM potential for tackling transitional metals.
      Gay-Berne ellipsoids can now be used in pure Gay-Berne and
      mixed Gay-Berne / Lennard-Jones systems.   The CLAYFF force
      field has been added, and work is ongoing to add and test other
      traditional potentials.

   2) The electrostatics module can handle up to charge-quadrupole
      interactions, and can now tackle shifted-potential and
      shifted-force cutoffs with screened electrostatic interactions.

   3) The rigid body and cutoff group code has been greatly improved.

   4) OOPSE can be used for both solid-state and liquid-state  
thermodynamic
      integrations.

   5) New time-saving cutoff methods have been added.

   6) There are new utility codes for analyzing data (StaticProps,
      DynamicProps), making movies (Dump2XYZ) and for setting
      up meta-data files for trajectories (atom2mdin, xyz2mdin,
      pdb2mdin, SimpleBuilder).

   7) There is a new user's manual <http://oopse.org/oopse-3.0.pdf>

   8) SPRNG is not required to build OOPSE.

If you are interested in downloading the latest release, point your
browser here:  <http://oopse.org/download.shtml>

***********************************************
   J. Daniel Gezelter
   Associate Professor
   Department of Chemistry and Biochemistry
   251 Nieuwland Science Hall
   University of Notre Dame
   Notre Dame, IN 46556-5670

   phone:  +1 (574) 631-7595
   fax:    +1 (574) 631-6652
   e-mail: gezelter at nd.edu
   web:    http://www.nd.edu/~gezelter
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