Annoucement: nMOLDYN 2.0

From: Konrad Hinsen <hinsen[ AT ]cnrs-orleans.fr>
Subject: Annoucement: nMOLDYN 2.0
Date: Tue, 9 Jul 2002 17:37:12 +0200
                       nMOLDYN 2.0
                        ===========
 nMOLDYN is an interactive analysis program for Molecular Dynamics
 simulations. It is especially designed for the computation and
 decomposition of neutron scattering spectra, but also computes
 other quantities.
 The current release 2.0 of nMOLDYN can compute the following quantities:
     Quantities related to neutron scattering:
     * coherent intermediate scattering function
     * memory function for coherent scattering function
     * dynamic structure factor
     * incoherent intermediate scattering function
     * elastic incoherent structure factor
     Other quantities:
     * mean-square displacement
     * velocity autocorrelation function
     * memory function for velocity autocorrelation function
     * density of states
     * angular velocity autocorrelation function (and its spectrum)
     * reorientational correlation function
 nMOLDYN has both a graphical user interface that is easy to use, and a
 command-line interface for experienced users. The latter is also
 appropriate for situations in which the graphical interface cannot be
 used for technical reasons (network restrictions etc.)
 For more information and for downloading nMOLDYN, see
     http://dirac.cnrs-orleans.fr/nMOLDYN/
 --
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 Konrad Hinsen                            | E-Mail: hinsen[ AT ]cnrs-orleans.fr
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