forked from lijiext/lammps
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.depend | ||
.gitignore | ||
Makefile.g95 | ||
Makefile.gfortran | ||
Makefile.ifort | ||
Makefile.lammps.gfortran | ||
Makefile.lammps.glory | ||
Makefile.lammps.ifort | ||
Makefile.mingw32-cross | ||
Makefile.mingw32-cross-mpi | ||
Makefile.mingw64-cross | ||
Makefile.mingw64-cross-mpi | ||
Makefile.pgf90 | ||
Makefile.tbird | ||
README | ||
fm_exp.c | ||
meam_cleanup.F | ||
meam_data.F | ||
meam_dens_final.F | ||
meam_dens_init.F | ||
meam_force.F | ||
meam_setup_done.F | ||
meam_setup_global.F | ||
meam_setup_param.F |
README
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. 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.