forked from lijiext/lammps
52 lines
1.8 KiB
Plaintext
52 lines
1.8 KiB
Plaintext
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 directory has source files to build a library that LAMMPS
|
|
links against when using the MEAM package.
|
|
|
|
This library must be built with a F90 compiler, before LAMMPS is
|
|
built, so LAMMPS can link against it.
|
|
|
|
You can type "make lib-meam" from the src directory to see help on how
|
|
to build this library via make commands, or you can do the same thing
|
|
by typing "python Install.py" from within this directory, or you can
|
|
do it manually by following the instructions below.
|
|
|
|
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.gfortran
|
|
|
|
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
|
|
|
|
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.
|
|
|
|
IMPORTANT: You must examine the final Makefile.lammps to insure it is
|
|
correct for your system, else the LAMMPS build will likely fail.
|
|
|
|
Makefile.lammps has settings for 3 variables:
|
|
|
|
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-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
|
|
where they are. Examples of common configurations are in the
|
|
Makefile.lammps.* files.
|