Empirical Potential Structure Refinement
13 Jul 2009
Yes
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EPSR enables the construction of a three-dimensional structure exploiting the information contained in diffraction data

No
 

Overview​

EPSR is a computational technique addressing the problem of calculating a three-dimensional structure which exploits the information contained in diffraction data. It is based around an atomistic Monte Carlo simulation of a system, correcting the employed pair interaction potentials by comparison with the diffraction data sets.

Download EPSR

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EPSR25-2017-10.zip
​Main EPSR25 distribution, including Windows binaries
EPSR25 Manual 2017-10.pdf
EPSR25 user manual
​EPSRgui Source (GitHub)​
Source code for EPSRgui
EPSRgui-1.1.2.dmg
EPSRgui Mac Installer
EPSRgui-1.1.2.​exe
EPSRgui Windows Installer​​
EPSRgui-1.1.2-Linux64.AppImage​​
EPSRgui Linux64 AppImage​​
EPSRgui Manual July2018.pdf
​Manual for EPSRgui​

​If you encounter any problems, bugs, or issues using the above software, please contact your instrument scientist​.

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