ATC (Atom To Continuum methods)

Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs) rjones, jatempl, jzimmer at sandia.gov September 2009

---

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.

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 must build it with the same MPI library that is used to build LAMMPS, e.g. as specified by settings in the lammps/src/MAKE/Makefile.foo file.

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

When you build LAMMPS with this library, you must insure that the settings in the lo-level Makefile (in lammps/src/MAKE) are correct for user-atc-SYSLIB and user-atc_SYSLIBPATH, so the the appropriate BLAS and LAPACK libraries on your system can be linked against.