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.

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).