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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