Subject: Annoucement: nMOLDYN 2.0

From: Konrad Hinsen <[email-masked]>
Date: Tue, 9 Jul 2002 17:37:12 +0200

nMOLDYN 2.0
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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: [email-masked]
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