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.gitignoreH A D04-Mar-202082 65

Install.pyH A D04-Mar-20204.2 KiB159109

Makefile.lammpsH A D04-Mar-2020168 63

READMEH A D04-Mar-20201.9 KiB4535

README

1This directory contains links to the Eigen library which is required
2to use the USER-SMD package in a LAMMPS input script.
3
4The Eigen library is available at http://eigen.tuxfamily.org.  It's
5a general C++ template library for linear algebra.
6
7You can type "make lib-smd" from the src directory to see help on how
8to download build this library via make commands, or you can do the
9same thing by typing "python Install.py" from within this directory,
10or you can do it manually by following the instructions below.
11
12Instructions:
13
141.  Download the Eigen tarball at http://eigen.tuxfamily.org and
15    unpack the tarball either in this /lib/smd directory or somewhere
16    else on your system.  It should unpack with into a directory with
17    a name similar to eigen-eigen-bdd17ee3b1b3.  You can rename
18    the directory to just "eigen" if you wish.  Note that Eigen is a
19    template library, so you do not have to build it.
20
212.  Create a soft link in this dir (lib/smd)
22    to the eigen directory.  E.g if you unpacked Eigen in this dir:
23      % ln -s eigen-eigen-bdd17ee3b1b3 includelink
24    If you unpacked Eigen somewhere else and renamed
25    the resulting directory to just eigen, then do something like this:
26      % ln -s /home/sjplimp/tools/eigen includelink
27
28When these steps are complete you can build LAMMPS
29with the USER-SMD package installed:
30
31% cd lammps/src
32% make yes-user-smd
33% make g++ (or whatever target you wish)
34
35Note that if you download and unpack a new LAMMPS tarball, the
36"includelink" and "liblink" files will be lost and you will need to
37re-create them (step 2).  If you unpacked the Eigen library in this
38directory (as opposed to somewhere else on your system), you will also
39need to repeat step 1.
40
41The Makefile.lammps file in this directory is there for compatibility
42with the way other libraries under the lib dir are linked with by
43LAMMPS.  However, the Eigen library requires no auxiliary files or
44settings, so its variables are blank.
45