lammps/lib/meam2abcef360345master
meam
README
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 directory has source files to build a library that LAMMPS links against when using the USER-ATC package.
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 Makefile.* files or create your own, specific to your compiler and system. For example:
make -f Makefile.g++
Note that the this library makes MPI calls, so you must build it with the same MPI library that is used to build LAMMPS, i.e. as specified by settings in the lammps/src/MAKE/Makefile.machine file you are using.
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
Makefile.lammps is created by the make command, by copying one of the Makefile.lammps.* files. See the EXTRAMAKE setting at the top of the Makefile.* files.
Makefile.lammps has settings for 3 variables:
user-atc_SYSINC = leave blank for this package user-atc_SYSLIB = auxiliary F90 libs needed to link a F90 lib with
a C++ program (LAMMPS) via a C++ compiler
user-atc_SYSPATH = path(s) to where those libraries are
Because you have a F90 compiler on your system, you should have these libraries. But you will have to figure out which ones are needed and where they are. Examples of common configurations are in the Makefile.lammps.* files.