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install.standalone.md

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IMPORTANT: The standalone code is as of now experimental and significantly less stable than either the Python or LAMMPS interface.

To compile the Atomistica standalone code (MDCORE) do the following:

  1. In the build_standalone directory copy one of the Makefile.* to Makefile and edit appropriately. Example makefiles for the Intel and GNU compilers are provided. Then type

    make factories

    This will create a set of factory and *_dispatch.f90" files. These files are responsible for instantianting and calling instances of potentials, Coulomb solvers, integrators and callables. (Callables are the equivalent to LAMMPS fixes.)

  2. Compile the code with

    make mdcore