Input File Creation for the Molecular Dynamics Program LAMMPS.
Software
·
OSTI ID:1230587
The program creates an input data file for the molecular dynamics program LAMMPS. The input file created is a liquid mixture between two walls explicitly composed of particles. The liquid molecules are modeled as a bead-spring molecule. The input data file specifies the position and topology of the starting state. The data structure of input allows for dynamic bond creation (cross-linking) within the LAMMPS code.
- Short Name / Acronym:
- MKCONFIG V1; 001373MLTPL00
- Version:
- 00
- Programming Language(s):
- Medium: X; OS: Any computer that can compile FORTRAN 77.
- Research Organization:
- Sandia National Laboratories (SNL), Albuquerque, NM, and Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- DE-AC04-94LA80
- OSTI ID:
- 1230587
- Country of Origin:
- United States
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