diff --git a/lib/meam/README b/lib/meam/README index 82ca9f44ad..a617ea0503 100644 --- a/lib/meam/README +++ b/lib/meam/README @@ -1,18 +1,18 @@ -ATC (Atom To Continuum methods) +MEAM (modified embedded atom method) library -Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs) -rjones, jatempl, jzimmer at sandia.gov -September 2009 +Greg Wagner, Sandia National Labs +gjwagne at sandia.gov +Jan 2007 -This is version 1.0 of the ATC library, which provides continuum field -estimation and molecular dynamics-finite element coupling methods. +This library is in implementation of the MEAM potential, specifically +designed to work with LAMMPS. ------------------------------------------------- This directory has source files to build a library that LAMMPS -links against when using the USER-ATC package. +links against when using the MEAM package. -This library must be built with a C++ compiler, before LAMMPS is +This library must be built with a F90 compiler, before LAMMPS is built, so LAMMPS can link against it. Build the library using one of the provided Makefile.* files or create @@ -20,15 +20,10 @@ 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 +libmeam.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 @@ -40,10 +35,10 @@ correct for your system, else the LAMMPS build will likely fail. 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 +user-meam_SYSINC = leave blank for this package +user-meam_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 +user-meam_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