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

Software ·
OSTI ID:1231727

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.

Short Name / Acronym:
DIFFPY-CMI; 002960MLTPL00
Version:
00
Programming Language(s):
Medium: X; OS: Macintosh OSX 10.7, UNIX; Compatibility: Multiplatform
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE
Contributing Organization:
Xiaohao Yang,Kevin Knox
DOE Contract Number:
AC02-98CH10886
OSTI ID:
1231727
Country of Origin:
United States

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