MicMec 1.0 ########## The micromechanical model is a coarse-grained force field model to simulate the mechanical behaviour of crystalline materials on a large length scale. MicMec is the first implementation of that model. The theoretical groundwork was originally established in: :: S. M. J. Rogge, “The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks,” Faraday Discuss., vol. 225, pp. 271–285, 2020. MicMec is, essentially, a simulation package for coarse-grained, micromechanical systems. Its design is intentionally similar to `Yaff `_, a simulation package for atomistic systems. In the process of building MicMec, the original micromechanical model was modified slightly, to ensure user friendliness, accuracy and flexibility. Recent changes and quality-of-life improvements are listed in the user guide and reference guide. User Guide ========== This guide serves as an introduction to MicMec. .. toctree:: :maxdepth: 2 :numbered: installation.rst creating_types.rst constructing_systems.rst performing_simulations.rst Reference Guide =============== This guide is generated automatically based on the docstrings in the source code. .. toctree:: :maxdepth: 2 :numbered: rg_micmec.rst rg_micmec_builder.rst rg_micmec_pes.rst rg_micmec_sampling.rst rg_micmec_analysis.rst Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search`