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MDANSE 

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MDANSE (**M**olecular **D**ynamics **A**nalysis for **N**eutron **S**cattering 
**E**xperiments) is a 
python application designed for computing properties that can be directly 
compared with neutron scattering experiments such as the coherent and incoherent 
intermediate scattering functions and their Fourier transforms, the elastic 
incoherent structure factor, the static coherent structure factor or the radial 
distribution function. Moreover, it can also compute quantities such as the 
mean-square displacement, the velocity autocorrelation function as well as its 
Fourier Transform (the so-called vibrational density of states) enlarging the 
scope of the program to a broader range of physico-chemical properties.

Most of MDANSE calculations can be applied to the whole system or to arbitrary 
subsets that can be defined in the graphical interface while less common 
selections can be specified via the command-line interface. MDANSE is written in 
Python and currently works on Linux, MacOS and Windows.
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MDANSE is developed and maintained by:
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**Eric Pellegrini**

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Computing for Science Group
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Institut Laue Langevin
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71 Avenue des Martyrs
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38042 Grenoble
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France
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If you have any questions about MDANSE, please contact send an email at:

pellegrini@ill.fr