Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/lib/meam/README
a6b7299ddc2blammm-master-deprecated

Last Change
Raw File

README
View Options

This directory has source files to build a library that LAMMPS
links against when using the MEAM package.
When you are done building this library, two files should
exist in this directory:
libmeam.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):
meam_SYSINC =
meam_SYSLIB = -lgfortran
meam_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 the source files for this library are Fortran. LAMMPS is
built with a C++ compiler/linker. Thus you need to insure the
settings above enable usage of a Fortran library by a C++ program.
-------------------------------------------------------------------------
MEAM (modified embedded atom method) library
Greg Wagner, Sandia National Labs
gjwagne at sandia.gov
Jan 2007
-------------------------------------------------------------------------
This library is in implementation of the MEAM potential, specifically
designed to work with LAMMPS.
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 Makefiles or creating your
own, specific to your compiler and system. For example:
make -f Makefile.g95
If the build is successful, you should end up with a libmeam.a file.
c4science · Help