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

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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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EPSR26distribution-2022-06-06.zip
​Main E​PSR26 distribution, including Windows binaries, Java GUI, and source code
EPSR26-Workshop-2024.zip
Worked examples for EPSR26 from the April 2024 Workshop​
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 Manual July2018.pdf
​Manual for EPSRgui​
EPSRgui-TutorialResources.zip​Tutorial resources for EPSRgui

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

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