lammps/lib/atc

This directory has source files to build a library that LAMMPS
links against when using the USER-ATC package.

When you are done building this library, two files should
exist in this directory:

libatc.a		the library LAMMPS will link against
Makefile.lammps		settings the LAMMPS Makefile will import

The latter file will have settings like this (can be omitted if blank):

user-atc_SYSINC =
user-atc_SYSLIB = -lblas -llapack
user-atc_SYSPATH =

SYSINC is for settings needed to compile LAMMPS source files
SYSLIB is for additional system libraries needed by this package
SYSPATH is the path(s) to where those libraries are

You must insure these settings are correct for your system, else
the LAMMPS build will likely fail.

Note that there is a lib/linalg directory which has the BLAS and
LAPACK files needed by the USER-ATC package.  If you don't have BLAS
and LAPACK on your system, you can build the pseudo-library in the
linalg directory, and point to that with the SYSLIB and SYSPATH
variables discussed above.

-------------------------------------------------------------------------

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.