BGK-MD, Version 1.0
Software
·
OSTI ID:1377808
- LANL
The software implements a heterogeneous multiscale method (HMM), which involves solving a classical molecular dynamics (MD) problem and then computes the entropy production in order to compute the relaxation times towards equilibrium for use in a Bhatnagar-Gross-Krook (BGK) solver.
- Short Name / Acronym:
- BGK-MD; 005423MLTPL00
- Project Type:
- Open Source under the BSD License.
- Site Accession Number:
- C17020
- Version:
- 00
- Programming Language(s):
- Medium: X; OS: LINUX/3.13.0-92 - generic, MACOS/10.12.6
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- Contributing Organization:
- Los Alamos National Laboratory (LANL)
- DOE Contract Number:
- AC52-06NA25396
- OSTI ID:
- 1377808
- Country of Origin:
- United States
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