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maci-code

Maci is a C++ code for coupling atomistic and continuum simulation codes.

See doc/main.pdf for more information.

The code is provided "as is" in the hope that it will be useful for other researchers. Since we cannot open-source certain required third-party libraries (in particular the finite element package UG), the code will not run out of the box. However, interfacing Maci with a different finite element package should be possible with moderate effort.

Please note that active developed of Maci was ceased in 2010.

References

Please cite the following references when using the software:

  • Coupling Molecular Dynamics and Continua with Weak Constraints. Konstantin Fackeldey, Dorian Krause, Rolf Krause and Christoph Lenzen. SIAM Multiscale Modeling & Simulation 2011; 9(4):1459 - 1494.
  • Numerical validation of a constraints-based multiscale simulation method for solids. Konstantin Fackeldey, Dorian Krause and Rolf Krause. Meshfree Methods for Partial Differential Equations V, Lecture Notes in Computational Science and Engineering. Springer (2011).
  • Parallel Scale-Transfer in Multiscale MD-FE Coupling Using Remote Memory Access. Dorian Krause and Rolf Krause. IEEE 7th International Conference on E-Science, e-Science 2011, Workshop Proceedings, IEEE Computer Society (2011).