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Title: DiffPy-CMI-Python libraries for Complex Modeling Initiative

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.
Authors:
; ; ;
Publication Date:
OSTI Identifier:
1231727
Report Number(s):
DIFFPY-CMI; 002960MLTPL00
R&D Project: LDRD 19066
DOE Contract Number:
AC02-98CH10886
Software Revision:
00
Software Package Number:
002960
Software Package Contents:
Open Source Software package available from Brookhaven National Laboratory at the following URL: http://www.diffpy.org
Software CPU:
MLTPL
Open Source:
Yes
Source Code Available:
Yes
Research Org:
Brookhaven National Laboratory
Sponsoring Org:
United States Department of Energy
Contributing Orgs:
Xiaohao Yang,Kevin Knox
Country of Publication:
United States

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