ATC (Atom To Continuum methods)

Reese Jones, Jeremy Templeton, Jonathan Zimmerman September 2009

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This is version 1.0 of the ATC library, which provides continuum field estimation and molecular dynamics-finite element coupling methods.

This library must be built with a C++ compiler, before LAMMPS is built, so LAMMPS can link against it. This library is dependent on the system libraries MPI, BLAS and LAPACK which will be linked when LAMMPS is built.

Build the library using one of the provided Makefiles or creating your own, specific to your compiler and system. For example:

make -f Makefile.g++

Note that the ATC library makes MPI calls, so you should build it with the same MPI library that is used to build LAMMPS, e.g. in the lammps/src/MAKE/Makefile.foo file.

If the build is successful, you should end up with a libatc.a file.