forked from lijiext/lammps
f2bade874d | ||
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.. | ||
Makefile.g95 | ||
Makefile.gfortran | ||
Makefile.ifort | ||
Makefile.lammps | ||
Makefile.lammps.gfortran | ||
Makefile.lammps.glory | ||
Makefile.lammps.ifort | ||
Makefile.pgf90 | ||
Makefile.tbird | ||
README | ||
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
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.