DOE OSTI · 1231727
DiffPy-CMI-Python libraries for Complex Modeling Initiative
Abstract
Software to manipulate and describe crystal and molecular structures and set up structural refinements from multiple experimental inputs. Calculation and simulation of structure derived physical quantities. Library for creating customized refinements of atomic structures from available experimental and theoretical inputs.
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Billinge, Simon, Juhas, Pavol, Farrow, Christopher, McKerns, Michael. 2014-02-01. DiffPy-CMI-Python libraries for Complex Modeling Initiative. https://www.osti.gov/biblio/1231727
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